SCHEMBL26070591

SCHEMBL26070591

N#Cc1[nH]nnc1-c1cccc(COCc2ccc(Cl)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.39
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MRGPRX4 Q96LA9 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCKBR P32239 1/20 0.35
GRM5 P41594 2/20 0.34
DHODH Q02127 1/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ATM Q13315 1/20 0.33
NAAA Q02083 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
SCHEMBL18004696 0.87 MRGPRX4 (0.43) CNR1MRGPRX4GRM5CYP11B1CYP11B2
SCHEMBL18003908 0.86 PTPN5 (0.39) CNR1ATM
SCHEMBL18004939 0.85 AGXT (0.43) CNR1MRGPRX4NAAA
SCHEMBL18005970 0.85 NR4A2 (0.46) CNR1NPC1RAB9ASMN1; SMN2CYP11B1
SCHEMBL18004936 0.83 CYP11B1 (0.35) CNR1CYP11B1CYP11B2NAAA
SCHEMBL18004945 0.83 USP7 (0.40) MRGPRX4CYP11B1CYP11B2
SCHEMBL18004944 0.82 PTPRZ1 (0.37) MRGPRX4CYP11B1CYP11B2NAAA
SCHEMBL18004699 0.82 MRGPRX4 (0.43) CNR1MRGPRX4GRM5CYP11B1CYP11B2
SCHEMBL18004700 0.82 MRGPRX4 (0.47) CNR1NPC1RAB9AMRGPRX4SMN1; SMN2
SCHEMBL18004694 0.82 MRGPRX4 (0.59) CNR1NPC1RAB9AMRGPRX4SMN1; SMN2

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