SCHEMBL28516111

SCHEMBL28516111

O=C(O)c1ccc2nn3ccc(Cl)nc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDH1 P12830 1/20 0.40
APC P25054 1/20 0.40
CTNNB1 P35222 1/20 0.40
TCF7L2 Q9NQB0 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HPGD P15428 2/20 0.39
POLB P06746 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 3/20 0.39
CSNK2A2 P19784 3/20 0.38
CSNK2B P67870 3/20 0.38
NAPRT Q6XQN6 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 3/20 0.36
TTR P02766 2/20 0.36
ALB P02768 1/20 0.36
MAOA P21397 1/20 0.36
CNR1 P21554 1/20 0.36
DRD1 P21728 1/20 0.36
OPRD1 P41143 1/20 0.36

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
SCHEMBL28514550 0.81 ALDH1A1 (0.52) ALDH1A1HPGDL3MBTL1KDM4ENPC1
SCHEMBL28522819 0.72 PDE10A (0.42) ALDH1A1HPGDTDP1TSHRKDM4E
SCHEMBL28208128 0.70 KDM4E (0.48) ALDH1A1HPGDTDP1KDM4ENPC1
SCHEMBL28522076 0.69 TDP1 (0.38) ALDH1A1HPGDPOLBL3MBTL1TDP1
SCHEMBL23501313 0.68 ALDH1A1 (0.33) ALDH1A1HPGDGAASMN1; SMN2MEN1
SCHEMBL21313032 0.68 ALDH1A1 (0.34) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1000985 0.67 CDH1 (0.49) CDH1APCCTNNB1TCF7L2ALDH1A1
Hydrochloric Acid SCHEMBL997515 0.66 CDH1 (0.47) CDH1APCCTNNB1TCF7L2ALDH1A1
Lithium SCHEMBL1680729 0.66 CDH1 (0.47) CDH1APCCTNNB1TCF7L2ALDH1A1
SCHEMBL1680727 0.66 CDH1 (0.47) CDH1APCCTNNB1TCF7L2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108003161-B Neurotrophic factor tyrosine kinase receptor inhibitors 正大天晴药业集团股份有限公司 2020-10-09 CN disclosed