SCHEMBL9548910

SCHEMBL9548910

CNC(=O)c1ccc(Cn2cnc3cnccc32)cc1C1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.40
BRD4 O60885 3/20 0.39
CSF1R P07333 1/20 0.39
ADRB3 P13945 2/20 0.38
IDO1 P14902 3/20 0.36
PPARG P37231 2/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
LTA4H P09960 1/20 0.36
FASN P49327 1/20 0.35
CAMKK2 Q96RR4 1/20 0.35
MAPT P10636 1/20 0.35
GSK3B P49841 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
SCHEMBL9390726 0.77 HDAC6 (0.56) IDO1PPARGHDAC1HDAC6LTA4H
SCHEMBL10469148 0.73 NAMPT (0.48) NAMPTIDO1HDAC1HDAC6
SCHEMBL9390733 0.72 LMNA (0.48) IDO1PPARGHDAC1HDAC6LTA4H
SCHEMBL9548868 0.72 ADRB3 (0.39) BRD4ADRB3FASNMAPT
SCHEMBL8134774 0.71 HRH3 (0.59) BRD4
SCHEMBL14874024 0.67 CSF1R (0.60) CSF1R
SCHEMBL10468250 0.67 TP53 (0.59) PPARGHDAC1HDAC6LTA4H
SCHEMBL8595894 0.67 HRH3 (0.53) BRD4
SCHEMBL9220646 0.66 PTGDR2 (0.50) FASN
SCHEMBL31229302 0.66 CYP11B1 (0.66) LTA4HMAPT

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-0543858-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003423-A1 BENZIMIDAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND APPLICATION BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-03-05 WO disclosed