SCHEMBL9866342

SCHEMBL9866342

Cc1ccc(-n2nc3c(cc2=O)CSc2ccc(OC(C)CN(C)C)cc2-3)cc1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.36
TOP1 P11387 1/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MMP12 P39900 1/20 0.32
MAPT P10636 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
TP53 P04637 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL9865465 0.95 MCHR1 (0.38) MCHR1TOP1MEN1KMT2AMMP12
SCHEMBL9867408 0.93 ALDH1A1 (0.37) MCHR1TOP1ALDH1A1MEN1KMT2A
SCHEMBL9866572 0.92 MMP12 (0.40) MCHR1TOP1ALDH1A1MEN1KMT2A
SCHEMBL9601577 0.89 MCHR1 (0.37) MCHR1TOP1MMP12CA12CA1
SCHEMBL9602979 0.87 MCHR1 (0.43) MCHR1TOP1ALDH1A1KMT2AMAPT
SCHEMBL9865646 0.85 MCHR1 (0.40) MCHR1TOP1ALDH1A1MEN1KMT2A
SCHEMBL9867236 0.80 MCHR1 (0.44) MCHR1TOP1ALDH1A1MEN1KMT2A
SCHEMBL9866081 0.80 HRH3 (0.33) MMP12CA12CA1CA2CA9
SCHEMBL9866270 0.80 MCHR1 (0.42) MCHR1TOP1ALDH1A1MEN1KMT2A
SCHEMBL9602271 0.79 MCHR1 (0.39) MCHR1TOP1ALDH1A1MAPTHRH3

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