SCHEMBL26071073

SCHEMBL26071073

N#C/C(NN)=C(/N)c1cccc(OCc2ccc(C#N)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.60
F2 P00734 8/20 0.51
MAOB P27338 1/20 0.46
SPHK2 Q9NRA0 2/20 0.45
SPHK1 Q9NYA1 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.43
GUSB P08236 1/20 0.43

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
SCHEMBL26071034 0.89 F2 (0.49) SMPD1F2MAOBSPHK1ALDH1A1
SCHEMBL26070590 0.88 NR4A2 (0.56) SMPD1F2MAOB
SCHEMBL26070983 0.85 F2 (0.48) SMPD1F2GUSB
SCHEMBL26071030 0.85 F2 (0.48) SMPD1F2MAOBGUSB
SCHEMBL26070981 0.84 F2 (0.44) SMPD1F2MAOBALDH1A1MAPT
SCHEMBL26071091 0.82 F2 (0.44) SMPD1F2MAOBALDH1A1RAB9A
SCHEMBL26070929 0.81 F2 (0.46) F2
SCHEMBL26070859 0.81 MAOB (0.53) F2MAOBALDH1A1RAB9A
SCHEMBL26070857 0.80 SMN1; SMN2 (0.65) SMPD1F2MAOBALDH1A1MAPT
SCHEMBL7444307 0.80 SMPD1 (0.72) SMPD1F2MAOBSPHK2SPHK1

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-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed