SCHEMBL10865331

SCHEMBL10865331

NC1=C(C(=O)c2ccc(N)cc2)c2cccc3cccc(c23)C1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.35
HPGD P15428 2/20 0.35
HTR2B P41595 3/20 0.35
HTR7 P34969 2/20 0.35
MAPT P10636 4/20 0.33
RXFP1 Q9HBX9 3/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 3/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
MPI P34949 1/20 0.33
CACNA1B Q00975 1/20 0.33
APBA1 Q02410 1/20 0.33
IDO1 P14902 1/20 0.32
ERCC1 P07992 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL1667085 0.67 MAPT (0.44) HTTMAPTMEN1ALDH1A1POLB
SCHEMBL1669188 0.67 ALDH1A1 (0.50) HTTHPGDMAPTRXFP1MEN1
SCHEMBL62657 0.62 CA12 (0.59) HTTHPGDMAPTMEN1ALDH1A1
SCHEMBL204877 0.62 CA12 (0.59) HTTHPGDMAPTMEN1ALDH1A1
SCHEMBL9097535 0.62 CA12 (0.59) HTTHPGDMAPTMEN1ALDH1A1
SCHEMBL9468327 0.61 GAA (0.53) HTTHPGDMAPTMEN1ALDH1A1
SCHEMBL28837137 0.61 HSD17B10 (0.41) HTTHPGDMAPTRXFP1MEN1
Hydrochloric Acid SCHEMBL8640288 0.61 CA12 (0.57) HTTHPGDMAPTMEN1ALDH1A1
SCHEMBL28143119 0.60 HTT (0.50) HTTHPGDMAPTMEN1ALDH1A1
SCHEMBL203108 0.60 PBRM1 (0.67) HTTHPGDMEN1ALDH1A1POLB

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-0194529-A2 Use of 2-(aminophenyl)-benzimidazole derivatives in the preparation of medicaments for combating malign and non-malign proliferative as well as auto-immune diseases and in immunosuppression in transplantations GÖDECKE AKTIENGESELLSCHAFT (DE) 1986-09-17 EP disclosed