SCHEMBL7430972

SCHEMBL7430972

CCc1nc2[nH]c(=O)n(C)c(=O)c2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
HPGD P15428 1/20 0.53
BRAF P15056 1/20 0.47
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
GPR18 Q14330 1/20 0.46
POLB P06746 3/20 0.46
GAA P10253 1/20 0.46
TPH1 P17752 1/20 0.46
TPH2 Q8IWU9 1/20 0.46
MAPT P10636 4/20 0.46
CXCL8 P10145 2/20 0.46
NOD2 Q9HC29 2/20 0.46
NOD1 Q9Y239 2/20 0.46
TNF P01375 1/20 0.46
G6PD P11413 1/20 0.46

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
SCHEMBL9176299 0.85 KDM4E (0.65) KDM4EHPGDBRAFKMT2AMEN1
SCHEMBL556003 0.85 KDM4E (0.55) KDM4EHPGDBRAFKMT2AMEN1
SCHEMBL7441558 0.82 KDM4E (0.56) KDM4EHPGDBRAFKMT2AMEN1
SCHEMBL7434786 0.81 HPGD (0.51) KDM4EHPGDBRAFKMT2AMEN1
SCHEMBL9707844 0.80 AGTR1 (0.45) GPR18
SCHEMBL28749924 0.78 TSHR (0.50) KDM4EHPGDKMT2AMEN1ALOX15
SCHEMBL3228294 0.77 ATM (0.46) HPGDBRAFKMT2AMEN1LMNA
SCHEMBL7445337 0.76 ALOX15 (0.47) KDM4EHPGDALOX15HSD17B10LMNA
SCHEMBL5867203 0.75 TSHR (0.48) HPGDKMT2AMEN1HSD17B10LMNA
SCHEMBL10830749 0.75 HPGD (0.43) KDM4EHPGDBRAFKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0538332-B1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORP (US) 1997-07-23 EP disclosed
US-5393755-A Hypotensive agents, enzyme inhibitors SCHERING CORPORATION (US) 1995-02-28 US disclosed
EP-0538332-A1 POLYCYCLIC GUANINE DERIVATIVES. SCHERING CORP (US) 1993-04-28 EP disclosed
WO-1991019717-A1 POLYCYCLIC GUANINE DERIVATIVES SCHERING CORPORATION (US) 1991-12-26 WO disclosed