SCHEMBL9532199

SCHEMBL9532199

COC(=NC#N)c1ccc(F)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
MAPK1 P28482 3/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 7/20 0.37
LMNA P02545 4/20 0.37
PTBP1 P26599 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.35
ALPG P10696 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
METTL3 Q86U44 1/20 0.34
GAA P10253 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP1A2 P05177 1/20 0.33

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
SCHEMBL9217151 0.81 CA2 (0.41) MEN1KMT2AHTTMAPTLMNA
SCHEMBL30827437 0.81 GSK3B (0.40) RAB9AMAPK1NPC1MEN1KMT2A
SCHEMBL9217149 0.81 CA2 (0.41) MEN1KMT2AHTTMAPTLMNA
SCHEMBL3455076 0.81 POLB (0.52) RAB9AMAPK1NPC1KMT2AHTT
SCHEMBL3455077 0.81 POLB (0.52) RAB9AMAPK1NPC1KMT2AHTT
SCHEMBL9532175 0.78 SMN1; SMN2 (0.37) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL9532178 0.78 SMN1; SMN2 (0.37) NPC1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL14325275 0.75 RAB9A (0.41) RAB9AMAPK1NPC1MEN1KMT2A
SCHEMBL9211646 0.71 CYP3A4 (0.35) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL4095153 0.71 ALDH1A1 (0.44) RAB9AMAPK1NPC1MEN1KMT2A

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
EP-0536424-A1 NOVEL BENZOPYRAN DERIVATIVE Japan Tobacco Inc. (JP) 1993-04-14 EP disclosed