SCHEMBL9326744

SCHEMBL9326744

CCCCN1C(=O)C=C(Nc2ccccc2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CCNB2 O95067 1/20 0.41
CCNE2 O96020 1/20 0.41
CDK1 P06493 1/20 0.41
FGFR1 P11362 1/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCNA2 P20248 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL27987755 0.87 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987750 0.86 CNR1 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987379 0.86 ALDH1A1 (0.43) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987747 0.86 MEN1 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987377 0.85 HAVCR2 (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987752 0.83 MAPT (0.64) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987376 0.82 ALDH1A1 (0.40) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL27987423 0.81 P2RX3 (0.47)
SCHEMBL13318454 0.76 ALDH1A1 (0.66) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL5179606 0.74 RGS4 (0.52) NPC1RAB9ASMN1; SMN2MAPTALDH1A1

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-0257433-B1 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID CO (US) 1994-03-23 EP disclosed
US-4757146-A Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-07-12 US disclosed
EP-0257433-A2 Method for the preparation of quinoline-2,3-dicarboxylic acid AMERICAN CYANAMID COMPANY (US) 1988-03-02 EP disclosed