SCHEMBL6021603

SCHEMBL6021603

CNC(=O)Cc1cc(OCc2ccccc2)c2nc(C)n(C)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.42
SRD5A1 P18405 1/20 0.42
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
RHEB Q15382 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PTGER1 P34995 2/20 0.39
GSK3B P49841 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39
BRD4 O60885 1/20 0.38
PRMT5 O14744 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 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
SCHEMBL5901760 0.83 RHEB (0.49) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL5901519 0.81 KMT2A (0.45) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL5901935 0.81 HPGD (0.51) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL4664782 0.80 CYP11B1 (0.49) SRD5A2SRD5A1MEN1RAB9AKMT2A
SCHEMBL5901336 0.77 PPIA (0.47) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL4662880 0.77 BRD4 (0.50) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL4662895 0.77 MEN1 (0.46) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL4664627 0.77 KMT2A (0.42) SRD5A2SRD5A1MEN1NPC1RAB9A
SCHEMBL5173716 0.74 MAPT (0.53) MEN1NPC1RAB9AKMT2ARHEB
SCHEMBL4753246 0.72 HRH3 (0.40) SRD5A2SRD5A1MEN1NPC1RAB9A

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-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed