SCHEMBL2884972

SCHEMBL2884972

Nc1cc2ncccc2c2ncccc12.Nc1cc2ncccc2c2ncccc12.Nc1cc2ncccc2c2ncccc12.[Fe]

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.58
HSP90AB1 P08238 4/20 0.58
NR4A2 P43354 2/20 0.58
IDO1 P14902 1/20 0.50
PSMB5 P28074 1/20 0.50
MAPT P10636 4/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
BLM P54132 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 2/20 0.45
MMP14 P50281 1/20 0.45
ALDH1A1 P00352 2/20 0.44
APAF1 O14727 1/20 0.44
TDP2 O95551 1/20 0.44
CASP3 P42574 1/20 0.44
SENP8 Q96LD8 1/20 0.44
SENP7 Q9BQF6 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1097183 0.98 HSP90AA1 (0.59) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
SCHEMBL3382683 0.96 HSP90AA1 (0.58) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
Dipyridyl SCHEMBL3937916 0.87 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
Dipyridyl SCHEMBL28127543 0.87 HSP90AA1 (0.49) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
SCHEMBL7915022 0.82 NR4A2 (0.55) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
SCHEMBL3350823 0.79 NCF1 (0.60) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
Dibenzoylmethane SCHEMBL1967283 0.79 PLOD2 (0.44) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
Dibenzoylmethane SCHEMBL17102109 0.79 PLOD2 (0.44) HSP90AA1HSP90AB1NR4A2IDO1PSMB5
SCHEMBL8034753 0.78 LMNA (0.50) HSP90AA1HSP90AB1NR4A2IDO1MAPT
SCHEMBL9935892 0.77 CCR1 (0.59) HSP90AA1HSP90AB1NR4A2IDO1PSMB5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12453495-B2 Hormone electrochemical biosensor TRUSTEES OF BOSTON UNIVERSITY (US) 2025-10-28 US disclosed
WO-2024081853-A2 MONOAMINE OXIDASE (MAO) ELECTROCHEMICAL BIOSENSOR AND USES THEREOF TRUSTEES OF BOSTON UNIVERSITY (US) 2024-04-18 WO disclosed
US-20240099614-A1 HORMONE ELECTROCHEMICAL BIOSENSOR TRUSTEES OF BOSTON UNIVERSITY (US) 2024-03-28 US disclosed
US-11801000-B2 Hormone electrochemical biosensor TRUSTEES OF BOSTON UNIVERSITY (US) 2023-10-31 US disclosed
US-11536685-B2 High throughput assay for identifying microbial redox enzymes TRUSTEES OF BOSTON UNIVERSITY (US) 2022-12-27 US disclosed
US-20220361782-A1 HORMONE ELECTROCHEMICAL BIOSENSOR TRUSTEES OF BOSTON UNIVERSITY (US) 2022-11-17 US disclosed
WO-2022232670-A1 HORMONE ELECTROCHEMICAL BIOSENSOR TRUSTEES OF BOSTON UNIVERSITY (US) 2022-11-03 WO disclosed
US-11331020-B2 Enzyme-based electrochemical nicotine biosensor TRUSTEES OF BOSTON UNIVERSITY (US) 2022-05-17 US disclosed
WO-2021221752-A2 HIGH THROUGHPUT ASSAY FOR IDENTIFYING MICROBIAL REDOX ENZYMES TRUSTEES OF BOSTON UNIVERSITY (US) 2021-11-04 WO disclosed
EP-1446050-B1 HAND-HELD MEDICAL APPARATUS KEMETA LLC (US) 2012-07-11 EP disclosed
US-7364551-B2 Hand-held medical apparatus KAMATA, LLC (US) 2008-04-29 US disclosed
US-20080004542-A1 MEDICAL APPARATUS FOR BREATH DETECTION INVOY TECHNOLOGIES, LLC 2008-01-03 US disclosed
EP-1523551-A4 AN ENZYME-BASED SYSTEM AND SENSOR FOR MEASURING ACETONE ROSESTREET LABS LLC (US) 2007-10-31 EP disclosed
EP-1446050-A4 HAND-HELD MEDICAL APPARATUS ROSESTREET LABS LLC (US) 2007-06-27 EP disclosed
US-20050084921-A1 Using acetone-specific enzyme reactions for use in weight loss management, drug screening and disease detection INVOY HOLDINGS INC. 2005-04-21 US disclosed
EP-1523551-A2 AN ENZYME-BASED SYSTEM AND SENSOR FOR MEASURING ACETONE DOW GLOBAL TECHNOLOGIES INC. (US) 2005-04-20 EP disclosed
US-20040236244-A1 Hand-held medical apparatus INVOY HOLDINGS INC. 2004-11-25 US disclosed
EP-1446050-A1 HAND-HELD MEDICAL APPARATUS DOW GLOBAL TECHNOLOGIES INC. (US) 2004-08-18 EP disclosed
WO-2003039367-A1 HAND-HELD MEDICAL APPARATUS DOW GLOBAL TECHNOLOGIES INC. (US) 2003-05-15 WO disclosed
WO-2003039483-A2 AN ENZYME-BASED SYSTEM AND SENSOR FOR MEASURING ACETONE DOW GLOBAL TECHNOLOGIES INC. (US) 2003-05-15 WO disclosed