SCHEMBL7934347

SCHEMBL7934347

C/C(=C/C(N)=O)C(=O)Nc1ccc(NC(=O)/C(C)=C\C(N)=O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.50
▸ NPC1 O15118 4/20 0.46
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ TSHR P16473 2/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ NFKB2 Q00653 1/20 0.46
▸ RELA Q04206 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ PRSS1 P07477 1/20 0.46
▸ PRSS2 P07478 1/20 0.46
▸ PRSS3 P35030 1/20 0.46
▸ TMPRSS6 Q8IU80 1/20 0.46
▸ ST14 Q9Y5Y6 1/20 0.46
▸ DDAH1 O94760 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ HTT P42858 3/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ GAA P10253 2/20 0.42
▸ ALDH1A1 P00352 4/20 0.41

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
SCHEMBL5174592 0.93 KDM4E (0.56) PARP1NPC1SMN1; SMN2RAB9ADDAH1
SCHEMBL5177147 0.91 PARP1 (0.57) PARP1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL5177143 0.91 PARP1 (0.57) PARP1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL7932745 0.85 PARP1 (0.64) PARP1SMN1; SMN2RAB9AL3MBTL1ALDH1A1
SCHEMBL7937038 0.81 ALDH1A1 (0.48) PARP1NPC1SMN1; SMN2RAB9AKDM4E
SCHEMBL26659359 0.76 MAPT (0.55) PARP1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL26659387 0.76 MAPT (0.55) PARP1NPC1SMN1; SMN2RAB9ATSHR
SCHEMBL5177074 0.75 GAA (0.57) PARP1NPC1RAB9ATSHRNFKB1
SCHEMBL5177067 0.75 GAA (0.57) PARP1NPC1RAB9ATSHRNFKB1
SCHEMBL5459512 0.74 PARP1 (0.65) PARP1NPC1SMN1; SMN2RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174989-B1 SYNTHETIC RUBBERS AND VULCANIZATION FOR TIRES THE GOODYEAR TIRE & RUBBER COMPANY 2001-01-16 — — US disclosed
US-5981662-A VULCANIZATES FOR USE IN SIDEWALL, TREAD, CARCASS PLY, WIRECOAT OR OVERLAY COMPOUNDS FOR TIRES; IMPART ANTI-REVERSION AND ANTIFATIGUE PROPERTIES IN THE RUBBER THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-11-09 — — US disclosed
EP-0908489-A2 Rubber compounds containing polymeric bis-succinimide polysulfides THE GOODYEAR TIRE & RUBBER COMPANY (US) 1999-04-14 — — EP disclosed
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