SCHEMBL9537348

SCHEMBL9537348

S=C=Nc1cc(Cl)ccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.39
CYP1A2 P05177 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HPGD P15428 2/20 0.37
HSD17B10 Q99714 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NPC1 O15118 1/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ABCB11 O95342 1/20 0.37
NR3C1 P04150 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL9311436 0.79 MIF (0.39) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9311479 0.79 ALDH1A1 (0.43) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5164145 0.77 ALDH1A1 (0.48) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9311119 0.76 CHRM1 (0.36) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL1020285 0.74 TP53 (0.42) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL9741692 0.72 MIF (0.48) MIFALDH1A1HPGDHSD17B10NPC1
SCHEMBL29188584 0.72 PTGDR2 (0.42) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL1021879 0.72 HTR2B (0.34) MIFCYP1A2ALDH1A1HPGDHSD17B10
SCHEMBL5050876 0.71 CYP1A2 (0.52) CYP1A2ALDH1A1HPGDHSD17B10KMT2A
SCHEMBL11996517 0.71 ALDH1A1 (0.46) MIFCYP1A2ALDH1A1HPGDHSD17B10

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-0536151-A1 ORTHOSUBSTITUTED BIPHENYL GUANIDINE DERIVATIVES AND ANTIDIABETIC OR HYPOGLYCAEMIC AGENTS CONTAINING THEM. BOOTS CO PLC (GB) 1993-04-14 EP disclosed