SCHEMBL21756285

SCHEMBL21756285

CC(C)n1ccc(C(=O)CBr)n1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 7/20 0.35
KDM5A P29375 1/20 0.34
PTPN1 P18031 4/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
MIF P14174 1/20 0.33
DYRK1A Q13627 1/20 0.33
NLRP3 Q96P20 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
RAF1 P04049 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL28111818 0.84 KDM5A (0.35) KDM5AMEN1HPGDKMT2AMIF
SCHEMBL17065274 0.78 KDM5A (0.37) KDM5AMEN1HPGDKMT2AMIF
SCHEMBL10026473 0.78 MME (0.39) KDM5AMEN1HPGDKMT2ADYRK1A
SCHEMBL25332845 0.77 MEN1 (0.41) KDM5AMEN1HPGDKMT2AMIF
SCHEMBL26664690 0.77 TSHR (0.50) GSK3BMEN1HPGDKMT2ALMNA
SCHEMBL2810761 0.77 ADORA2A (0.40) KDM5AMEN1HPGDKMT2ADYRK1A
SCHEMBL1431340 0.74 KMT2A (0.44) KDM5AMEN1KMT2ALMNARAF1
SCHEMBL12777937 0.74 DYRK1A (0.40) KDM5AMEN1HPGDKMT2ADYRK1A
SCHEMBL1058997 0.73 CYP1A2 (0.49) HPGDLMNATSHRMAPTSMN1; SMN2
SCHEMBL10121089 0.72 CA12 (0.44) MEN1KMT2ANPC1MAPTRAB9A

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-2020041562-A1 SUBSTITUTED IMIDAZOLES FOR THE INHIBITION OF TGF-BETA AND METHODS OF TREATMENT CLAVIUS PHARMACEUTICALS, LLC (US) 2020-02-27 WO disclosed