SCHEMBL9330751

SCHEMBL9330751

O=C(O)c1ccc2c(c1-c1ccccc1)C(=O)N(O)C2=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOS1 Q07889 1/20 0.43
HIF1A Q16665 1/20 0.43
HNF4A P41235 2/20 0.41
ALDH1A1 P00352 6/20 0.40
MAPT P10636 5/20 0.40
LMNA P02545 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
POLB P06746 2/20 0.40
RECQL P46063 2/20 0.40
MAPK1 P28482 2/20 0.40
THRB P10828 1/20 0.40
KDM4E B2RXH2 3/20 0.39
APOBEC3A P31941 1/20 0.39

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
SCHEMBL17258283 0.80 ALDH1A1 (0.53) CYP1A2TSHRHIF1AHNF4AALDH1A1
SCHEMBL332581 0.78 ALDH1A1 (0.57) CYP1A2HNF4AALDH1A1MAPTLMNA
SCHEMBL12006684 0.77 HNF4A (0.55) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL31098416 0.74 MAPT (0.50) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL31098415 0.74 MAPT (0.50) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL3677501 0.74 MAPT (0.50) ALDH1A1MAPTLMNAKMT2AKDM4E
SCHEMBL901069 0.74 ACMSD (0.61) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL27922461 0.73 TYMS (0.50) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL11802032 0.73 HNF4A (0.50) CYP1A2CYP2D6CYP2C9TSHRCYP2C19
SCHEMBL995362 0.70 HNF4A (0.52) CYP1A2CYP2D6CYP2C9TSHRCYP2C19

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
JP-62290752-A None JP disclosed
EP-0375960-B1 Thermoplastic, liquid-crystalline, wholly aromatic polyimide ester and method of producing the same IDEMITSU PETROCHEMICAL CO (JP) 1994-03-30 EP disclosed
JP-S62290752-A RESIN COMPOSITION IDEMITSU KOSAN CO LTD 1987-12-17 JP disclosed