SCHEMBL7377771

SCHEMBL7377771

CN(C(=O)c1ccccc1)c1ccc(C(=O)O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
KDM4E B2RXH2 2/20 0.47
GLA P06280 1/20 0.47
CES2 O00748 2/20 0.47
ALDH1A1 P00352 4/20 0.45
NR1H2 P55055 1/20 0.43
NR1H3 Q13133 1/20 0.43
HCAR3 P49019 1/20 0.43
CDC25B P30305 1/20 0.42
TSHR P16473 1/20 0.42
KMT2A Q03164 1/20 0.42
CES1 P23141 1/20 0.42
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL7371681 0.84 ALDH1A1 (0.47) ATMALDH1A1TSHRKMT2AMAPT
SCHEMBL6023991 0.84 ATM (0.53) ATMKDM4ECES2ALDH1A1NR1H2
SCHEMBL1371283 0.81 MAPT (0.57) KDM4EGLAALDH1A1HCAR3TSHR
Hydrochloric Acid SCHEMBL1890620 0.80 MAPT (0.56) KDM4EGLAALDH1A1HCAR3TSHR
SCHEMBL31423817 0.76 HCAR3 (0.55) KDM4EGLAALDH1A1HCAR3CDC25B
SCHEMBL7685089 0.75 PKM (0.50) KDM4EGLAALDH1A1HCAR3TSHR
SCHEMBL28932562 0.74 NR1H3 (0.50) ATMKDM4ENR1H2NR1H3KMT2A
SCHEMBL6024379 0.74 KMT2A (0.50) ATMALDH1A1HCAR3TSHRKMT2A
SCHEMBL27785428 0.74 HCAR3 (0.44) KDM4EGLAALDH1A1HCAR3TSHR
SCHEMBL9001651 0.74 KMT2A (0.69) ATMKDM4ENR1H2NR1H3KMT2A

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