SCHEMBL7376372

SCHEMBL7376372

Cc1cccc(N(C)C(=O)c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 6/20 0.64
HSD17B2 P37059 6/20 0.64
ATM Q13315 1/20 0.58
TSHR P16473 1/20 0.49
ACHE P22303 1/20 0.49
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CRHBP P24387 1/20 0.46
CRHR2 Q13324 1/20 0.46
MAPK1 P28482 2/20 0.45
LMNA P02545 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ALOX5 P09917 2/20 0.45
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL20474766 0.87 ATM (0.55) HSD17B1HSD17B2ATMTSHRACHE
SCHEMBL7368659 0.85 ATM (0.57) HSD17B1HSD17B2ATMKMT2AALDH1A1
SCHEMBL7379932 0.84 ATM (0.75) ATMMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL21241029 0.84 HSD17B1 (0.83) HSD17B1HSD17B2TSHRSMN1; SMN2LMNA
SCHEMBL7376601 0.83 HSD17B2 (0.68) HSD17B1HSD17B2ATMMEN1KMT2A
SCHEMBL7375263 0.82 ACHE (0.56) ATMTSHRACHEMEN1KMT2A
SCHEMBL29940968 0.81 HSD17B2 (0.72) HSD17B1HSD17B2TSHRKMT2ASMN1; SMN2
SCHEMBL10212283 0.81 HSD17B2 (0.72) HSD17B1HSD17B2TSHRKMT2ASMN1; SMN2
SCHEMBL7374140 0.80 HSD17B1 (0.71) HSD17B1HSD17B2TSHRSMN1; SMN2LMNA
SCHEMBL21620298 0.80 HSD17B1 (0.71) HSD17B1HSD17B2LMNA

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