SCHEMBL18134016

SCHEMBL18134016

Cc1cnc(Nc2c(C)cccc2[N+](=O)[O-])nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.46
▸ KCNMA1 Q12791 1/20 0.45
▸ TDP1 Q9NUW8 3/20 0.43
▸ KMT2A Q03164 5/20 0.43
▸ MAPT P10636 4/20 0.43
▸ LCK P06239 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ CYP1A2 P05177 2/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.39

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
SCHEMBL15412383 0.89 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL18131712 0.89 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL30466489 0.89 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL21386640 0.88 SMN1; SMN2 (0.50) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL18131701 0.86 TSHR (0.43) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL18131743 0.85 TSHR (0.42) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL15413168 0.78 FGFR4 (0.60) TSHRSMN1; SMN2KCNMA1KMT2AMAPT
SCHEMBL28492231 0.77 SMN1; SMN2 (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL27143115 0.77 TSHR (0.45) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1
SCHEMBL16665294 0.77 TSHR (0.42) TSHRSMN1; SMN2HSD17B10KCNMA1TDP1

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-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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