SCHEMBL29655153

SCHEMBL29655153

O=[N+]([O-])c1ccc(Br)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.49
ADRA2A P08913 2/20 0.49
ADRA2B P18089 2/20 0.49
ADRA2C P18825 2/20 0.49
SLC2A1 P11166 1/20 0.49
LMNA P02545 4/20 0.48
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 3/20 0.47
CYP1A2 P05177 2/20 0.47
ALOX12 P18054 2/20 0.47
GAA P10253 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KDM4E B2RXH2 2/20 0.46
AGTR1 P30556 1/20 0.46
HSPB1 P04792 2/20 0.45
CYP2C9 P11712 1/20 0.45
HPGD P15428 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CXCR5 P32302 1/20 0.45

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
SCHEMBL180816 1.00 MAPT (0.49) MAPTADRA2AADRA2BADRA2CSLC2A1
Ethylene SCHEMBL27728659 0.96 MAPT (0.46) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL17683527 0.78 FDFT1 (0.37) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL14450630 0.78 MAPT (0.49) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL3156019 0.77 MAPT (0.52) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL29580092 0.76 MAPT (0.50) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL202616 0.76 ADRA2A (0.55) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL10936934 0.76 MAPT (0.50) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL4892045 0.76 MAPT (0.50) MAPTADRA2AADRA2BADRA2CSLC2A1
SCHEMBL10113803 0.75 MAPT (0.43) MAPTADRA2AADRA2BADRA2CSLC2A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025094117-A1 SUBSTITUTED INDOLYL COMPOUNDS, COMPOSITIONS THEREOF, AND THERAPEUTIC USES THEREOF GT GAIN THERAPEUTICS SA (CH) 2025-05-08 WO disclosed
WO-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed
EP-4337639-A1 NAMPT INHIBITORS AND USES THEREOF Remedy Plan, Inc. (US) 2024-03-20 EP disclosed
EP-4149939-A1 SMALL MOLECULE INHIBITORS OF GALECTIN-3 Bristol-Myers Squibb Company (US) 2023-03-22 EP disclosed
WO-2022241257-A1 NAMPT INHBITORS AND USES THEREOF REMEDY PLAN, INC. (US) 2022-11-17 WO disclosed
CN-109843874-B Phthalazine derivatives useful as inhibitors of PARP1, PARP2 and/or tubulin for the treatment of cancer 加利福尼亚大学董事会 2022-05-27 CN disclosed