SCHEMBL28353263

SCHEMBL28353263

COc1ccc(Cl)cc1CC(=O)Nc1nccs1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
MAPK1 P28482 2/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
KCNMA1 Q12791 1/20 0.66
FFAR2 O15552 1/20 0.60
ALDH1A1 P00352 1/20 0.56
POLB P06746 1/20 0.56
ANO1 Q5XXA6 2/20 0.55
RAB9A P51151 4/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
USP2 O75604 1/20 0.53
NPC1 O15118 2/20 0.53
ADRB2 P07550 1/20 0.53
CSNK1D P48730 1/20 0.53
CPT1A P50416 1/20 0.52
PKM P14618 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL30765198 1.00 LMNA (0.66) LMNAMAPK1SMN1; SMN2KCNMA1FFAR2
SCHEMBL29367281 0.87 SMN1; SMN2 (0.67) LMNAMAPK1SMN1; SMN2KCNMA1ALDH1A1
SCHEMBL28350045 0.87 SMN1; SMN2 (0.67) LMNAMAPK1SMN1; SMN2KCNMA1ALDH1A1
SCHEMBL28350195 0.83 RAB9A (0.67) LMNAMAPK1SMN1; SMN2POLBRAB9A
SCHEMBL22774165 0.78 ANO1 (0.70) LMNAANO1MEN1KMT2A
SCHEMBL27374829 0.77 RAB9A (0.61) LMNAMAPK1SMN1; SMN2KCNMA1FFAR2
SCHEMBL3869051 0.76 MEN1 (0.55) LMNASMN1; SMN2ALDH1A1ANO1MEN1
SCHEMBL21198082 0.75 ANO1 (0.70) LMNAALDH1A1ANO1MEN1KMT2A
SCHEMBL23175242 0.75 GLA (0.72) LMNASMN1; SMN2KCNMA1FFAR2ALDH1A1
SCHEMBL21198085 0.75 ANO1 (0.76) ANO1

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
CN-110753691-A Compound (I) 豪夫迈·罗氏有限公司 2020-02-04 CN disclosed