SCHEMBL9867683

SCHEMBL9867683

COc1ccc(-n2nc3c(cc2=O)CCc2ccc(OC(C)CN(C)C)cc2-3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
MCHR1 Q99705 1/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 4/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
THRB P10828 1/20 0.39
RECQL P46063 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
OPRK1 P41145 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TOP1 P11387 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
SCHEMBL9866266 0.96 MCHR1 (0.42) ALDH1A1MCHR1MAPTGAAL3MBTL1
SCHEMBL9867236 0.95 MCHR1 (0.44) ALDH1A1MCHR1MAPTGAAL3MBTL1
SCHEMBL9865646 0.92 MCHR1 (0.40) ALDH1A1MCHR1MAPTGAATHRB
SCHEMBL9867705 0.91 MCHR1 (0.41) ALDH1A1MCHR1MAPTGAAL3MBTL1
SCHEMBL9865428 0.90 MCHR1 (0.38) ALDH1A1MCHR1MAPTMEN1KMT2A
SCHEMBL9866270 0.89 MCHR1 (0.42) ALDH1A1MCHR1MAPTTHRBMEN1
SCHEMBL9865707 0.88 MCHR1 (0.38) ALDH1A1MCHR1MAPTGAAMEN1
SCHEMBL9866420 0.88 MCHR1 (0.43) ALDH1A1MCHR1MAPTGAAL3MBTL1
SCHEMBL9602846 0.88 MCHR1 (0.41) ALDH1A1MCHR1MAPTMEN1KMT2A
SCHEMBL9603115 0.86 MCHR1 (0.48) ALDH1A1MCHR1MAPTGAAMEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed
EP-0351435-A1 FUSED PYRIDAZINE COMPOUNDS AND THEIR MEDICINAL USES Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1990-01-24 EP disclosed