SCHEMBL19785829

SCHEMBL19785829

N#Cc1c(Cl)cccc1NC(=O)c1cc(C=O)c[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
TAS1R2 Q8TE23 1/20 0.46
KDR P35968 2/20 0.39
CASP3 P42574 1/20 0.37
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
CFTR P13569 1/20 0.35
RXFP1 Q9HBX9 2/20 0.34
KMT2A Q03164 1/20 0.34
CXCR1 P25024 1/20 0.33
CXCR2 P25025 1/20 0.33

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
SCHEMBL19785950 0.90 TAS1R3 (0.45) TAS1R3TAS1R1TAS1R2KDRCASP3
SCHEMBL19785982 0.84 KDR (0.55) TAS1R3TAS1R1TAS1R2KDRCASP3
SCHEMBL19785768 0.80 PDCD1 (0.43) TAS1R3TAS1R1TAS1R2KDRCFTR
SCHEMBL19779672 0.79 TAS1R3 (0.47) TAS1R3TAS1R1TAS1R2CYP1A2HPGD
SCHEMBL396661 0.75 CFTR (0.63) CFTRKMT2A
SCHEMBL19785837 0.74 KDR (0.46) KDRCASP3KDM4ERXFP1KMT2A
SCHEMBL19785763 0.72 KDR (0.37) TAS1R3TAS1R1TAS1R2KDRRXFP1
SCHEMBL19785492 0.72 CD274 (0.44) KDRKDM4EL3MBTL1MAPT
SCHEMBL19779431 0.72 TAS1R3 (0.43) TAS1R3TAS1R1TAS1R2CASP3CYP1A2
SCHEMBL19779682 0.67 TAS1R3 (0.46) TAS1R3TAS1R1TAS1R2CYP1A2HPGD

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
WO-2018013789-A1 HETEROCYCLIC COMPOUNDS AS IMMUNOMODULATORS INCYTE CORPORATION (US) 2018-01-18 WO disclosed