SCHEMBL30714352

SCHEMBL30714352

O=C1CCSc2cc(Br)ccc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.58
HTT P42858 1/20 0.58
VHL P40337 1/20 0.50
ELOC Q15369 1/20 0.50
ELOB Q15370 1/20 0.50
ALDH1A1 P00352 1/20 0.49
S100A4 P26447 1/20 0.41
METAP1 P53582 1/20 0.40
PARP10 Q53GL7 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP11 Q9NR21 1/20 0.39
CTSL P07711 1/20 0.38
PTPRC P08575 1/20 0.36
CA2 P00918 3/20 0.36
BCL2 P10415 1/20 0.35
MCL1 Q07820 1/20 0.35
CA1 P00915 1/20 0.35
CA4 P22748 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL13135 1.00 KDM4E (0.58) KDM4EHTTVHLELOCELOB
SCHEMBL5956746 0.89 KDM4E (0.47) KDM4EHTTVHLELOCELOB
SCHEMBL69249 0.85 VHL (0.64) KDM4EHTTVHLELOCELOB
Ethylene SCHEMBL8101571 0.82 VHL (0.60) KDM4EHTTVHLELOCELOB
SCHEMBL7992397 0.82 KDM4E (0.48) KDM4EHTTVHLELOCELOB
SCHEMBL2594793 0.81 S100A4 (0.43) KDM4EHTTS100A4METAP1PARP10
SCHEMBL29922129 0.81 S100A4 (0.43) KDM4EHTTS100A4METAP1PARP10
SCHEMBL2223886 0.78 KDM4E (0.58) KDM4EHTTVHLELOCELOB
SCHEMBL13938663 0.78 KDM4E (0.58) KDM4EHTTVHLELOCELOB
SCHEMBL87314 0.78 KDM4E (0.58) KDM4EHTTVHLELOCELOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025136671-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
EP-4540230-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF Ensem Therapeutics, Inc. (US) 2025-04-23 EP disclosed
WO-2023244710-A1 ANILINO-PYRAZOLE DERIVATIVES, COMPOSITIONS AND METHODS THEREOF ENSEM THERAPEUTICS, INC. (US) 2023-12-21 WO disclosed