SCHEMBL16665294

SCHEMBL16665294

Cc1cccc([N+](=O)[O-])c1Nc1nccc(Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ KMT2A Q03164 5/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ TDP1 Q9NUW8 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ KCNMA1 Q12791 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ LCK P06239 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP2C19 P33261 2/20 0.39
▸ IKBKB O14920 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ CDK4 P11802 2/20 0.38
▸ CDK2 P24941 2/20 0.38
▸ ASPH Q12797 1/20 0.37

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
SCHEMBL21386640 0.85 SMN1; SMN2 (0.50) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL18134016 0.77 TSHR (0.47) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL15412383 0.75 TSHR (0.45) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL30466489 0.75 TSHR (0.45) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL18131712 0.75 TSHR (0.45) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL9995125 0.74 TSHR (0.44) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL29549327 0.73 PIN1 (0.51) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL22807430 0.73 PIN1 (0.51) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL31220844 0.73 MAPT (0.62) TSHRSMN1; SMN2KMT2AMEN1TDP1
SCHEMBL18131701 0.73 TSHR (0.43) TSHRSMN1; SMN2KMT2AMEN1TDP1

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
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