SCHEMBL5777980

SCHEMBL5777980

COCCc1nc2cc(C(=O)O)ccc2n1-c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.49
HSD17B10 Q99714 1/20 0.45
KMT2A Q03164 2/20 0.44
HPGD P15428 4/20 0.43
PTGER4 P35408 4/20 0.43
HCAR3 P49019 1/20 0.43
CRBN Q96SW2 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
RECQL P46063 1/20 0.40

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
SCHEMBL4703168 0.93 THRB (0.48) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5812811 0.91 THRB (0.46) THRBHSD17B10HPGDPTGER4HCAR3
SCHEMBL5781185 0.91 THRB (0.48) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5781887 0.91 THRB (0.48) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5779114 0.90 THRB (0.47) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5782596 0.90 THRB (0.48) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5782481 0.89 HSD17B10 (0.47) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL4702408 0.89 THRB (0.44) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5783447 0.88 HPGD (0.46) THRBHSD17B10KMT2AHPGDPTGER4
SCHEMBL5783864 0.88 THRB (0.46) THRBHSD17B10KMT2AHPGDPTGER4

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-1194410-B1 BENZIMIDAZOLE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THESE COMPOUNDS NEUROSEARCH AS (DK) 2006-01-18 EP claimed