SCHEMBL26071035

SCHEMBL26071035

N#Cc1cccc(COc2cccc(-c3nn[nH]c3N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
FFAR1 O14842 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CYP11B1 P15538 4/20 0.43
MAOB P27338 3/20 0.42
MAOA P21397 2/20 0.42
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
CYP11B2 P19099 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRA2 P47869 1/20 0.41
KCNH2 Q12809 1/20 0.41
GRM5 P41594 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40

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
SCHEMBL18006408 0.89 CYP4F2 (0.47) CYP4F2CYP4A11GABRG2GABRB3GABRA5
SCHEMBL7451938 0.79 GABRG2 (0.56) CYP4F2CYP4A11GABRG2GABRB3GABRA5
SCHEMBL18006432 0.78 CYP11B1 (0.51) CYP4F2CYP4A11GABRG2GABRB3GABRA5
SCHEMBL18004687 0.78 NR4A2 (0.45) CYP4F2CYP4A11GABRG2GABRB3GABRA5
SCHEMBL18005947 0.78 NAAA (0.47) GABRG2GABRB3GABRA5GABRA3CYP11B1
SCHEMBL26070980 0.78 NOS1 (0.48) MAOBMAOA
SCHEMBL26070984 0.77 IGF1R (0.42) MAOB
SCHEMBL18004433 0.76 NR4A2 (0.47) CYP11B1MAOBMAOACYP11B2GRM5
SCHEMBL26071092 0.76 IGF1R (0.39) CYP11B1MAOBGRM5
SCHEMBL26071045 0.76 MRGPRX4 (0.45) MAOBMAOAMRGPRX4

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