SCHEMBL7375875

SCHEMBL7375875

Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C#N)c1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
KMT2A Q03164 4/20 0.51
MEN1 O00255 2/20 0.51
MAPT P10636 5/20 0.50
NPC1 O15118 3/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
LMNA P02545 3/20 0.49
GAA P10253 1/20 0.49
RAB9A P51151 3/20 0.49
RECQL P46063 1/20 0.48
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL20488395 0.90 RECQL (0.55) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL30665825 0.90 RECQL (0.55) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL31474751 0.83 HTT (0.71) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL3526801 0.82 KMT2A (0.56) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7372653 0.82 MAPT (0.67) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7373572 0.82 ALDH1A1 (0.49) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL18610467 0.81 SMN1; SMN2 (0.64) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL14075220 0.80 MEN1 (0.71) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL7377697 0.79 RAB9A (0.68) HTTSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL12228139 0.79 KCNK3 (0.49) KMT2AALDH1A1HPGDGAA

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