SCHEMBL11228880

SCHEMBL11228880

Cc1oc2ccc(N)cc2c(=O)c1C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.67
NPC1 O15118 4/20 0.67
RAB9A P51151 4/20 0.67
MAPT P10636 3/20 0.67
GFER P55789 1/20 0.67
KMT2A Q03164 4/20 0.49
MAPK1 P28482 2/20 0.49
SRC P12931 2/20 0.46
EGFR P00533 1/20 0.46
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
CDK9 P50750 1/20 0.45
DYRK1A Q13627 1/20 0.45
DYRK2 Q92630 1/20 0.45
CA9 Q16790 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
GLA P06280 1/20 0.45

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
SCHEMBL11223775 0.86 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL8229629 0.85 CDK9 (0.59) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL4381356 0.81 RAB9A (1.00) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL30901818 0.79 KMT2A (0.60) SMN1; SMN2NPC1RAB9AMAPTKMT2A
SCHEMBL11618318 0.74 RAB9A (0.85) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL11233028 0.73 KDM1A (0.53) MAPTKMT2AMAPK1ALDH1A1MEN1
SCHEMBL9334571 0.73 LMNA (0.43) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL9499154 0.73 AKR1B1 (0.43) SMN1; SMN2RAB9AMAPTKMT2AMAPK1
SCHEMBL9333747 0.73 ALDH2 (0.41) SMN1; SMN2NPC1RAB9AMAPTGFER
SCHEMBL9333604 0.73 ALDH2 (0.40) SMN1; SMN2NPC1RAB9AMAPTGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309353-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1982-01-05 US disclosed
US-4205082-A ANTI-ALLERGIC AGENTS CIBA-GEIGY CORPORATION (US) 1980-05-27 US disclosed