SCHEMBL9865646

SCHEMBL9865646

Cc1ccc(-n2nc3c(cc2=O)CCc2ccc(OC(C)CN(C)C)cc2-3)cc1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.40
ALDH1A1 P00352 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.39
HRH3 Q9Y5N1 2/20 0.38
TOP1 P11387 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
TP53 P04637 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
THRB P10828 1/20 0.33
TSHR P16473 1/20 0.32
POLB P06746 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
SCHEMBL9867236 0.95 MCHR1 (0.44) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9866270 0.94 MCHR1 (0.42) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9867683 0.92 ALDH1A1 (0.41) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9867705 0.91 MCHR1 (0.41) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9865428 0.90 MCHR1 (0.38) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9866266 0.90 MCHR1 (0.42) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9865707 0.88 MCHR1 (0.38) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9866420 0.88 MCHR1 (0.43) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9602846 0.88 MCHR1 (0.41) MCHR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL9866095 0.87 MCHR1 (0.43) MCHR1ALDH1A1MEN1KMT2AMAPT

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