SCHEMBL31284751

SCHEMBL31284751

CC1(C)CCc2c(Br)cccc21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.34
PDE7A Q13946 5/20 0.33
PARP10 Q53GL7 1/20 0.33
PARP11 Q9NR21 1/20 0.33
KDM1A O60341 1/20 0.32
PIM1 P11309 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CDK5 Q00535 1/20 0.32
ROCK1 Q13464 1/20 0.32
DYRK1A Q13627 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
DYRK1B Q9Y463 1/20 0.32
RXRA P19793 1/20 0.31
PNMT P11086 1/20 0.31
GID4 Q8IVV7 1/20 0.31
TP53 P04637 1/20 0.31
CYP1A2 P05177 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL18015330 0.83 PDK2 (0.33) PDE7A
SCHEMBL34464520 0.81 CYP11B1 (0.38) LDHAPDE7APARP10PARP11KDM1A
SCHEMBL29036488 0.81 LDHA (0.33) LDHAPDE7APARP10PARP11KDM1A
SCHEMBL19041482 0.78 LDHA (0.35) LDHAPDE7APARP10PARP11KDM1A
SCHEMBL9770695 0.78 ALDH1A1 (0.37) PDE7APARP10PARP11KDM1ATP53
SCHEMBL5163204 0.76 KDM1A (0.32) KDM1ATP53CYP1A2ALDH1A1CYP3A4
SCHEMBL9507986 0.76 ALDH1A1 (0.38) KDM1AGID4TP53CYP1A2ALDH1A1
SCHEMBL21132394 0.76 PDK2 (0.35) LDHAPDE7APARP10PARP11KDM1A
SCHEMBL10819305 0.76 HDAC4 (0.37) PDE7AKDM1A
SCHEMBL29428514 0.76 PDK2 (0.35) LDHAPDE7APARP10PARP11KDM1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729516-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-04-22 EP disclosed
WO-2024260319-A1 SUBSTITUTED IMIDAZOLE DERIVATIVE, INTERMEDIATE, PREPARATION METHOD THEREFOR AND USE THEREOF 江苏恩华药业股份有限公司 2024-12-26 WO disclosed