SCHEMBL21312554

SCHEMBL21312554

Nc1ccc(CC2CCC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.38
TRPA1 O75762 1/20 0.35
FEN1 P39748 1/20 0.33
MAP4K4 O95819 2/20 0.33
HTR3A P46098 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
MCHR1 Q99705 1/20 0.32
ADRA2A P08913 2/20 0.32
ADRA2B P18089 2/20 0.32
ADRA2C P18825 2/20 0.32

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
SCHEMBL28819054 0.95 NFE2L2 (0.44) NFE2L2TRPA1FEN1HTR3AHRH4
SCHEMBL21312118 0.82 HRH3 (0.44) MAP4K4HRH4ADRA2C
SCHEMBL24742808 0.78 TRPA1 (0.54) TRPA1FEN1HTR3AHRH4
SCHEMBL15984521 0.75 TRPA1 (0.36) TRPA1HTR3AHRH4CTSDBACE1
SCHEMBL24593793 0.74 KDM1A (0.44) TRPA1HRH4
SCHEMBL507751 0.74 CXCR4 (0.40) TRPA1FEN1HTR3AHRH4CYP11B2
SCHEMBL20008219 0.73 ABL1 (0.43) FEN1MAP4K4LNPEP
SCHEMBL21240974 0.73 MAP4K4 (0.42) TRPA1MAP4K4HTR3AHRH4CYP11B2
SCHEMBL29055311 0.73 LNPEP (0.35) NFE2L2MAP4K4MCHR1LNPEP
SCHEMBL18924441 0.70 CXCR4 (0.37) NFE2L2TRPA1HTR3AHRH4LNPEP

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-2019165192-A1 5-HETEROARYL SUBSTITUTED INDAZOLE-3-CARBOXAMIDES AND PREPARATION AND USE THEREOF SAMUMED, LLC (US) 2019-08-29 WO disclosed