SCHEMBL10924941

SCHEMBL10924941

COc1ccc(C(=O)c2noc(CC#N)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.53
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 4/20 0.53
▸ HPGD P15428 4/20 0.53
▸ MEN1 O00255 3/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ RAB9A P51151 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ ATM Q13315 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.41
▸ MAPK1 P28482 2/20 0.40
▸ TP53 P04637 1/20 0.40
▸ PTPN7 P35236 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ HDAC1 Q13547 2/20 0.39

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
SCHEMBL10928513 0.83 HPGD (0.46) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL10926682 0.82 MAPT (0.51) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL10926174 0.81 LMNA (0.44) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL10994121 0.68 AKR1C3 (0.46) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL7685125 0.67 RAB9A (0.53) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL9427483 0.67 CYP19A1 (0.55) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL51509 0.66 RXFP1 (0.79) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL9418310 0.66 RXFP1 (0.79) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL11375273 0.66 LMNA (0.52) LMNAKMT2AMAPTHPGDMEN1
SCHEMBL10926928 0.65 MAPT (0.47) LMNAKMT2AMAPTHPGDMEN1

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-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US claimed
EP-0189080-A2 (1,2,4-Oxadiazol-3-YL)-arylmethanones, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-07-30 — — EP disclosed
US-4562186-A HYPOTENSIVE, ANALGESICS, AND ANTIINFLAMMATORY AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1985-12-31 — — US disclosed
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