SCHEMBL31069435

SCHEMBL31069435

CCCn1c(CO)nc2cc(CNC(=O)OC(C)(C)C)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.47
GNRHR P30968 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
BRD4 O60885 3/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CNR2 P34972 1/20 0.40
HDAC1 Q13547 2/20 0.39
SMO Q99835 1/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NAMPT P43490 1/20 0.38

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
SCHEMBL6218923 0.89 CNR2 (0.49) GRM2BCHEACHECNR2HDAC1
SCHEMBL6245220 0.88 GRM2 (0.47) GRM2GNRHRCYP3A4CYP2C19L3MBTL1
SCHEMBL3734568 0.87 GRM2 (0.46) GRM2GNRHRCYP3A4CYP2C19L3MBTL1
SCHEMBL6242216 0.86 GNRHR (0.43) GRM2GNRHRCYP3A4CYP2C19L3MBTL1
SCHEMBL6493464 0.85 GRM2 (0.42) GRM2GNRHRKDM4ECYP1A2CYP3A4
SCHEMBL31069497 0.81 GNRHR (0.47) GRM2GNRHRKDM4ECYP1A2CYP3A4
SCHEMBL22135974 0.80 STING1 (0.52) MEN1KMT2ACYP3A4CYP2C19L3MBTL1
SCHEMBL6221079 0.80 CNR2 (0.48) GNRHRBCHEACHECNR2
SCHEMBL12635695 0.79 MEN1 (0.66) MEN1KMT2AKDM4EL3MBTL1RECQL
SCHEMBL7879921 0.79 GNRHR (0.43) GRM2GNRHRCYP3A4CYP2C19L3MBTL1

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
WO-2024174953-A1 BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF 苏州隆博泰药业有限公司 2024-08-29 WO disclosed