SCHEMBL17043256

SCHEMBL17043256

BrN1Cc2ccccc2S1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 6/20 0.36
SIGMAR1 Q99720 1/20 0.33
HSD17B3 P37058 1/20 0.32
MAOA P21397 2/20 0.31
MAOB P27338 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
RXFP1 Q9HBX9 1/20 0.30
NOTUM Q6P988 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6185179 0.73 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL31146716 0.73 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL3894929 0.73 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL17185647 0.73 RYR2 (0.36) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL29463396 0.73 MAOA (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL11217635 0.73 MAOA (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL6969929 0.73 RYR2 (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL19674181 0.73 RYR2 (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL11118465 0.73 RYR2 (0.40) RYR2SIGMAR1HSD17B3MAOAMAOB
SCHEMBL1486666 0.72 RYR2 (0.33) RYR2SIGMAR1

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
EP-2912037-A1 2-AMINOPYRIDINE COMPOUNDS Merck Patent GmbH (DE) 2015-09-02 EP disclosed