SCHEMBL10641674

SCHEMBL10641674

CCCCCCCCNC(=O)C(C#N)=Cc1cccc(C=C(C#N)C(=O)NCCCCCCCC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.69
▸ HPGD P15428 6/20 0.69
▸ ALDH1A1 P00352 4/20 0.69
▸ LMNA P02545 4/20 0.67
▸ MEN1 O00255 3/20 0.67
▸ KMT2A Q03164 3/20 0.67
▸ MAPK1 P28482 2/20 0.67
▸ MITF O75030 1/20 0.67
▸ MDM2 Q00987 1/20 0.67
▸ DNM1 Q05193 9/20 0.65
▸ EGFR P00533 7/20 0.65
▸ TP53 P04637 2/20 0.64
▸ HSP90AA1 P07900 1/20 0.64
▸ ATM Q13315 1/20 0.64
▸ KDM4E B2RXH2 2/20 0.60
▸ POLB P06746 1/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ ALOX15 P16050 1/20 0.60
▸ ALOX12 P18054 1/20 0.60

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
SCHEMBL17810121 0.85 EGFR (0.88) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL11432956 0.84 SMN1; SMN2 (0.71) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL11432961 0.84 SMN1; SMN2 (0.71) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL23255173 0.81 HPGD (0.62) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL15145156 0.81 SMN1; SMN2 (0.70) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL13486015 0.79 ALDH1A1 (0.59) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL10645286 0.79 SMN1; SMN2 (0.60) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL6213506 0.77 EGFR (1.00) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL6213511 0.77 EGFR (1.00) SMN1; SMN2HPGDALDH1A1LMNAMEN1
SCHEMBL14703456 0.76 ALDH1A1 (0.69) SMN1; SMN2HPGDALDH1A1LMNAMEN1

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
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