SCHEMBL7375652

SCHEMBL7375652

COc1ccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.55
MAPT P10636 5/20 0.55
MEN1 O00255 5/20 0.55
KMT2A Q03164 5/20 0.55
SMN1; SMN2 Q16637 4/20 0.55
RAB9A P51151 3/20 0.55
NPC1 O15118 2/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
ATM Q13315 1/20 0.52
HSD17B1 P14061 1/20 0.52
HSD17B2 P37059 1/20 0.52
HTT P42858 3/20 0.52
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
MITF O75030 1/20 0.52
GAA P10253 4/20 0.51
MCHR1 Q99705 2/20 0.51
NPSR1 Q6W5P4 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
SCHEMBL6806574 0.86 HSD17B1 (0.65) ALDH1A1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL31155755 0.85 ATM (0.57) ALDH1A1MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL11467828 0.84 MAOA (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7376601 0.84 HSD17B2 (0.68) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7375263 0.84 ACHE (0.56) ALDH1A1MEN1KMT2ASMN1; SMN2MAOA
SCHEMBL7376913 0.82 ATM (0.55) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7379932 0.82 ATM (0.75) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL20679710 0.81 MAOA (0.53) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL5582735 0.80 CA1 (0.67) ALDH1A1MAPTKMT2ASMN1; SMN2RAB9A
SCHEMBL4090142 0.80 HSD17B1 (0.58) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2

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
US-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed