SCHEMBL4700632

SCHEMBL4700632

CCNC(=O)Cc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C(C)OC)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.43
HPGD P15428 5/20 0.42
HSD17B10 Q99714 1/20 0.39
HTR7 P34969 2/20 0.38
KMT2A Q03164 4/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
GFER P55789 1/20 0.35
PTGER4 P35408 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
SCHEMBL4698489 0.93 HPGD (0.43) THRBHPGDHSD17B10HTR7KMT2A
SCHEMBL4703176 0.92 THRB (0.44) THRBHPGDHSD17B10HTR7KMT2A
SCHEMBL4702086 0.87 THRB (0.47) THRBHPGDHSD17B10KMT2ASMN1; SMN2
SCHEMBL4700682 0.86 THRB (0.45) THRBHPGDHSD17B10SMN1; SMN2POLB
SCHEMBL4703393 0.86 THRB (0.46) THRBHPGDHSD17B10KMT2ASMN1; SMN2
SCHEMBL4698515 0.85 HPGD (0.44) THRBHPGDHSD17B10KMT2AATM
SCHEMBL4703169 0.85 THRB (0.46) THRBHPGDHSD17B10KMT2ASMN1; SMN2
SCHEMBL4701502 0.85 CRBN (0.46) THRBHPGDHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL4703871 0.84 THRB (0.44) THRBHPGDHSD17B10KMT2ASMN1; SMN2
SCHEMBL4703388 0.81 THRB (0.48) THRBHPGDHSD17B10KMT2ASMN1; SMN2

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
EP-1615896-B1 NOVEL BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2008-04-23 EP claimed