SCHEMBL6969907

SCHEMBL6969907

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)O)c([N+](=O)[O-])c2)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
RAB9A P51151 2/20 0.51
GAA P10253 1/20 0.51
CYP2C9 P11712 2/20 0.50
TSHR P16473 1/20 0.50
CYP3A4 P08684 1/20 0.49
ALOX12 P18054 1/20 0.49
LMNA P02545 2/20 0.48
EIF4E P06730 1/20 0.48
CASP3 P42574 1/20 0.47
PPARG P37231 1/20 0.47
ATM Q13315 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 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
SCHEMBL6963299 0.87 ALDH1A1 (0.56) MEN1KMT2ARAB9AGAALMNA
SCHEMBL7375887 0.87 L3MBTL1 (0.55) MEN1KMT2ARAB9AGAALMNA
SCHEMBL7820503 0.78 CYP1A2 (0.68) MEN1KMT2ARAB9AALOX12LMNA
SCHEMBL5216752 0.78 EIF4E (0.56) MEN1KMT2AGAATSHRCYP3A4
SCHEMBL9414267 0.77 AVPR2 (0.40) MEN1KMT2ARAB9AGAALMNA
SCHEMBL2969209 0.76 MEN1 (0.59) MEN1KMT2ARAB9AGAACYP2C9
SCHEMBL6702122 0.76 MYC (0.58) KMT2ARAB9AGAACYP2C9TSHR
SCHEMBL7378371 0.74 ALDH1A1 (0.58) MEN1KMT2ARAB9AGAALMNA
SCHEMBL406111 0.73 TSHR (0.60) RAB9AGAATSHRCYP3A4LMNA
SCHEMBL8183777 0.72 HTT (0.64) MEN1KMT2ARAB9AGAALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed