SCHEMBL13347702

SCHEMBL13347702

COc1cc(-n2cccn2)ccc1C=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
NPC1 O15118 1/20 0.53
POLB P06746 1/20 0.53
RAB9A P51151 1/20 0.53
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
PTPN1 P18031 2/20 0.49
FGFR1 P11362 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP1A2 P05177 1/20 0.43
NOTUM Q6P988 1/20 0.41
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 4/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
GHSR Q92847 1/20 0.39

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
SCHEMBL27932708 0.82 NOTUM (0.49) ALDH1A1KDM4EMAPK1PTPN1L3MBTL1
SCHEMBL13347571 0.79 NOTUM (0.46) ALDH1A1KDM4EMAPK1PTPN1NOTUM
SCHEMBL16051759 0.78 NOTUM (0.42) ALDH1A1KDM4EMAPK1PTPN1NOTUM
SCHEMBL13347701 0.78 HCRTR1 (0.44) ALDH1A1KDM4EMAPK1PTPN1NOTUM
SCHEMBL23667579 0.78 KDM4E (0.57) ALDH1A1KDM4EMAPK1NOTUMTDP1
SCHEMBL6850771 0.78 KDM4E (0.57) ALDH1A1KDM4EMAPK1FGFR1NOTUM
SCHEMBL8216643 0.78 NOTUM (0.53) ALDH1A1KDM4EMAPK1PTPN1NOTUM
SCHEMBL8114245 0.78 NOTUM (0.45) ALDH1A1KDM4EMAPK1PTPN1NOTUM
SCHEMBL2188351 0.78 NLRP3 (0.45) ALDH1A1KDM4EMAPK1PTPN1NOTUM
SCHEMBL5756029 0.78 PTPN1 (0.49) ALDH1A1POLBKDM4EMAPK1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7737154-B2 CRF receptor antagonists and methods relating thereto SMITHKLINE BEECHAM (CORK) LIMITED (IE) 2010-06-15 US disclosed