SCHEMBL14985437

SCHEMBL14985437

CCCCCCc1csc(-c2cnc3c(-c4cc(CCCCCC)cs4)sc(-c4cc(CCCCCC)cs4)c3n2)c1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ USP2 O75604 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ STAT3 P40763 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ PTGS2 P35354 2/20 0.31

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
SCHEMBL14985434 0.84 PTGS2 (0.36) KDM4EALDH1A1HSD17B10PTGS2
SCHEMBL14985415 0.83 PTGS2 (0.35) RAB9AKDM4EALDH1A1PTGS2
SCHEMBL15871311 0.83 PTGS2 (0.35) RAB9AKDM4EALDH1A1PTGS2
SCHEMBL14478041 0.78 CASP3 (0.33) RAB9AKDM4EPTGS2
SCHEMBL14351415 0.77 PTGS2 (0.39) RAB9AKDM4EALDH1A1HSD17B10PTGS2
SCHEMBL12715541 0.77 GPR35 (0.36) RAB9AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL30475751 0.76 DRD2 (0.35) RAB9AMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL2012315 0.73 PTGS2 (0.48) KDM4EALDH1A1HSD17B10PTGS2
SCHEMBL3555634 0.73 PTGS2 (0.48) KDM4EALDH1A1HSD17B10PTGS2
SCHEMBL1323842 0.73 PTGS2 (0.48) KDM4EALDH1A1HSD17B10PTGS2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9040655-B2 Direct CH arylation method using palladium-based catalyst GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-26 — — US disclosed
US-9040655-B2 Direct CH arylation method using palladium-based catalyst GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-05-26 — — US disclosed
US-20140142263-A1 DIRECT CH ARYLATION METHOD USING PALLADIUM-BASED CATALYST GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-05-22 — — US disclosed
US-20140142263-A1 DIRECT CH ARYLATION METHOD USING PALLADIUM-BASED CATALYST GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2014-05-22 — — US disclosed
WO-2013077615-A1 DIRECT CH ARYLATION METHOD USING PALLADIUM-BASED CATALYST 광주과학기술원 (KR) 2013-05-30 — — WO disclosed
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