SCHEMBL17383249

SCHEMBL17383249

CCS(=O)(=O)c1ccc(-n2cncn2)nc1-c1nc2cc(S(=O)(=O)C(F)(F)F)ccc2n1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ CNR2 P34972 8/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ HPGD P15428 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ PTGER4 P35408 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ RORC P51449 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX5AP P20292 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
SCHEMBL29543391 0.91 LMNA (0.35) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL27145437 0.91 LMNA (0.35) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL29542880 0.89 CNR2 (0.35) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL17383123 0.88 DDR1 (0.36) SMN1; SMN2CNR2ALDH1A1RORCGAA
SCHEMBL17382576 0.85 CA12 (0.32) CNR2NPC1RAB9ACA12CA9
SCHEMBL17383192 0.85 CNR2 (0.30) CNR2NPC1RAB9AALOX5AP
SCHEMBL17383179 0.84 LMNA (0.43) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL17949562 0.84 SMN1; SMN2 (0.32) SMN1; SMN2CNR2NPC1RAB9AHPGD
SCHEMBL17382836 0.84 LMNA (0.43) LMNAHTTSMN1; SMN2CNR2NPC1
SCHEMBL17382619 0.83 LMNA (0.42) LMNAHTTSMN1; SMN2CNR2NPC1

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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