SCHEMBL9392384

SCHEMBL9392384

COc1ccc(CCNC(=O)/C(C#N)=C(/C)O)cc1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.61
▸ PLAAT3 P53816 3/20 0.57
▸ PLAAT5 Q96KN8 3/20 0.57
▸ PLAAT2 Q9NWW9 3/20 0.57
▸ PLAAT4 Q9UL19 3/20 0.57
▸ TAAR1 Q96RJ0 2/20 0.53
▸ ALDH1A1 P00352 2/20 0.53
▸ GLA P06280 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ FPR2 P25090 1/20 0.52
▸ GAA P10253 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ MAPT P10636 3/20 0.51
▸ POLB P06746 1/20 0.51

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
SCHEMBL9392391 1.00 SMN1; SMN2 (0.61) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9391023 0.86 KDM4E (0.59) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9391013 0.86 KDM4E (0.59) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9395784 0.85 PLAAT3 (0.55) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9395867 0.85 KDM4E (0.46) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9395862 0.85 KDM4E (0.46) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9395775 0.85 PLAAT3 (0.55) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9391078 0.84 CYP1A2 (0.58) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9391085 0.84 CYP1A2 (0.58) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4
SCHEMBL9392501 0.84 PLAAT3 (0.53) SMN1; SMN2PLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO claimed
WO-1994024095-A1 IMMUNOSUPPRESSIVE AGENTS ABBOTT LABORATORIES (US) 1994-10-27 — — WO disclosed
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