SCHEMBL3486077

SCHEMBL3486077

O=C(O)c1ccccc1C(=O)NCCc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.62
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
TRPV1 Q8NER1 1/20 0.54
HPGD P15428 2/20 0.53
KMT2A Q03164 2/20 0.53
APEX1 P27695 1/20 0.53
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
PTGER4 P35408 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NR4A1 P22736 1/20 0.51
NR4A2 P43354 1/20 0.51
NR4A3 Q92570 1/20 0.51
NQO2 P16083 1/20 0.51
MTNR1B P49286 1/20 0.51
HTT P42858 1/20 0.50
CDC25B P30305 1/20 0.50

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
SCHEMBL7898025 0.90 MTNR1A (0.68) MTNR1ALMNACHRNB2CHRNA4TRPV1
SCHEMBL3232172 0.84 SMN1; SMN2 (0.62) MTNR1ACHRNB2CHRNA4TRPV1HPGD
SCHEMBL5437839 0.84 MTNR1A (0.68) MTNR1ATRPV1KMT2AMEN1NQO2
SCHEMBL1567114 0.82 MTNR1A (0.73) MTNR1AMAPTTRPV1KMT2AMEN1
SCHEMBL28344027 0.81 MTNR1A (0.53) MTNR1ALMNACHRNB2CHRNA4TRPV1
SCHEMBL28519744 0.80 MEN1 (0.63) MTNR1ALMNAHPGDKMT2AKDM4E
SCHEMBL7614084 0.80 TRPV1 (0.55) MTNR1AMAPTTRPV1KMT2AMEN1
SCHEMBL11186472 0.80 NR4A1 (0.63) MTNR1ALMNACHRNB2CHRNA4HPGD
SCHEMBL13073501 0.78 RAB9A (0.63) LMNAMAPTHPGDKDM4E
SCHEMBL10889755 0.78 KMT2A (0.69) LMNAMAPTKMT2AAPEX1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO claimed
EP-4073242-A1 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY Kumquat Biosciences Inc. (US) 2022-10-19 EP disclosed
WO-2021119554-A1 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY KUMQUAT BIOSCIENCES INC. (US) 2021-06-17 WO disclosed
WO-2014055768-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2014-04-10 WO disclosed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 WO disclosed
EP-1863481-A1 METHODS FOR ADMINISTERING IXABEPILONE Brystol-Myers Squibb Company (US) 2007-12-12 EP disclosed
WO-2006105399-A1 METHODS FOR ADMINISTERING IXABEPILONE BRISTOL-MYERS SQUIBB COMPANY (US) 2006-10-05 WO disclosed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed