SCHEMBL10645286

SCHEMBL10645286

CCCCCCCCNC(=O)C(C#N)=Cc1c(C)c(C)c(C=C(C#N)C(=O)NCCCCCCCC)c(C)c1C

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.60
▸ HPGD P15428 4/20 0.56
▸ LMNA P02545 2/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ ATM Q13315 1/20 0.56
▸ ALDH1A1 P00352 2/20 0.55
▸ DNM1 Q05193 10/20 0.54
▸ KDM4E B2RXH2 1/20 0.52
▸ EGFR P00533 5/20 0.50
▸ DNM2 P50570 1/20 0.49

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
SCHEMBL10641674 0.79 SMN1; SMN2 (0.69) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL9287155 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL8763697 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL8763694 0.79 SMN1; SMN2 (0.54) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL11432956 0.76 SMN1; SMN2 (0.71) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL11432961 0.76 SMN1; SMN2 (0.71) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL15145156 0.75 SMN1; SMN2 (0.70) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL17810121 0.74 EGFR (0.88) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL7548924 0.70 EPHX1 (0.52) SMN1; SMN2HPGDLMNAMEN1TP53
SCHEMBL7544676 0.70 EPHX1 (0.52) SMN1; SMN2HPGDLMNAMEN1TP53

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
US-4726942-A SUNSCREEN AGENTS L'OREAL (FR) 1988-02-23 — — US claimed
Send feedback