SCHEMBL17382836

SCHEMBL17382836

CCS(=O)(=O)c1ccc(-n2cnc(S(C)(=O)=O)n2)nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2n1C

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CNR2 P34972 6/20 0.35
▸ CA12 O43570 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ PKM P14618 1/20 0.32
▸ PTGER4 P35408 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ GHSR Q92847 1/20 0.30
▸ RORC P51449 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
SCHEMBL17383179 0.89 LMNA (0.43) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL17382619 0.88 LMNA (0.42) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL17383249 0.84 LMNA (0.45) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL27148710 0.81 NPC1 (0.36) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL27153704 0.81 NPC1 (0.36) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL17383248 0.80 LMNA (0.52) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL30092787 0.80 CNR2 (0.35) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL27140601 0.80 CNR2 (0.35) LMNAHTTSMN1; SMN2NPC1RAB9A
SCHEMBL18854934 0.79 — —
SCHEMBL18866410 0.79 POLB (0.38) POLB

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-2015198859-A1 CONDENSED HETEROCYCLIC COMPOUND 住友化学株式会社 2015-12-30 — — WO disclosed
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