SCHEMBL4698489

SCHEMBL4698489

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.43
THRB P10828 1/20 0.41
HSD17B10 Q99714 1/20 0.39
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR7 P34969 1/20 0.36
POLB P06746 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
PTGER4 P35408 1/20 0.35
TP53 P04637 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
SCHEMBL4700632 0.93 THRB (0.43) HPGDTHRBHSD17B10ATMSMN1; SMN2
SCHEMBL4698515 0.93 HPGD (0.44) HPGDTHRBHSD17B10ATMSMN1; SMN2
SCHEMBL4701536 0.88 THRB (0.43) HPGDTHRBHSD17B10ATMSMN1; SMN2
SCHEMBL4699907 0.86 CRBN (0.44) HPGDTHRBHSD17B10ALDH1A1SIRT2
SCHEMBL4699188 0.86 THRB (0.42) HPGDTHRBHSD17B10SMN1; SMN2POLB
SCHEMBL4702409 0.85 THRB (0.44) HPGDTHRBHSD17B10SMN1; SMN2KMT2A
SCHEMBL4698571 0.85 THRB (0.41) HPGDTHRBHSD17B10SMN1; SMN2POLB
SCHEMBL4703176 0.85 THRB (0.44) HPGDTHRBHSD17B10SMN1; SMN2KMT2A
SCHEMBL4702405 0.82 THRB (0.45) HPGDTHRBHSD17B10ATMSMN1; SMN2
SCHEMBL4698564 0.81 THRB (0.42) HPGDTHRBHSD17B10ATMSMN1; 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