SCHEMBL9865029

SCHEMBL9865029

CC(CN(C)C)Oc1ccc(-n2nc3c(cc2=O)C[S+]([O-])c2ccccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.42
TOP1 P11387 1/20 0.37
HRH3 Q9Y5N1 1/20 0.34
KMT2A Q03164 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
SCHEMBL9865814 0.89 MCHR1 (0.36) MCHR1TOP1HRH3
Iodide SCHEMBL9866676 0.87 HRH3 (0.34) HRH3KMT2A
SCHEMBL9603115 0.83 MCHR1 (0.48) MCHR1TOP1HRH3KMT2A
SCHEMBL9602979 0.80 MCHR1 (0.43) MCHR1TOP1HRH3KMT2A
SCHEMBL9865298 0.80 MCHR1 (0.43) MCHR1TOP1HRH3KMT2A
SCHEMBL10445226 0.79 MCHR1 (0.42) MCHR1TOP1HRH3KMT2A
SCHEMBL9867236 0.78 MCHR1 (0.44) MCHR1TOP1HRH3KMT2A
SCHEMBL10561567 0.77 LMNA (0.41) KMT2A
SCHEMBL9866095 0.77 MCHR1 (0.43) MCHR1TOP1HRH3KMT2A
SCHEMBL9866270 0.76 MCHR1 (0.42) MCHR1TOP1HRH3KMT2A

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