SCHEMBL12758194

SCHEMBL12758194

CCCCCCCCCCCCNC(=O)C(C#N)=CC=C1OCC(C)(C)N1CCCCCCCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 5/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ LMNA P02545 4/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ DNM1 Q05193 9/20 0.38
▸ DNM2 P50570 3/20 0.38
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ EGFR P00533 2/20 0.34

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
SCHEMBL17445966 0.85 ALDH1A1 (0.44) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL13485630 0.74 ALDH1A1 (0.33) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL26338674 0.69 SMN1; SMN2 (0.44) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL14254898 0.69 SMN1; SMN2 (0.44) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL10601780 0.69 SMN1; SMN2 (0.44) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL14254897 0.68 MEN1 (0.35) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL10603923 0.66 SMN1; SMN2 (0.41) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL8763697 0.66 SMN1; SMN2 (0.54) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL9287155 0.66 SMN1; SMN2 (0.54) HPGDALDH1A1LMNAMEN1KMT2A
SCHEMBL8763694 0.66 SMN1; SMN2 (0.54) HPGDALDH1A1LMNAMEN1KMT2A

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-20110057155-A1 ULTRAVIOLET ABSORBENT COMPOSITION FUJIFILM CORPORATION (JP) 2011-03-10 — — US disclosed
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