SCHEMBL9866081

SCHEMBL9866081

CC(COc1ccc2c(c1)-c1nn(-c3ccc(F)cc3)c(=O)cc1CS2)CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.33
NR3C1 P04150 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MMP12 P39900 1/20 0.31
DRD2 P14416 1/20 0.30
S1PR1 P21453 2/20 0.30
S1PR3 Q99500 2/20 0.30

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
SCHEMBL9602962 0.87 HRH3 (0.36) HRH3CA12CA1CA2CA9
SCHEMBL9603117 0.86 CDK4 (0.39)
SCHEMBL9601577 0.84 MCHR1 (0.37) HRH3CA12CA1CA2CA9
SCHEMBL10445204 0.80 HRH3 (0.42) HRH3
SCHEMBL9867408 0.80 ALDH1A1 (0.37) CA12CA1CA2CA9MMP12
SCHEMBL9866342 0.80 MCHR1 (0.36) HRH3CA12CA1CA2CA9
SCHEMBL9866572 0.79 MMP12 (0.40) HRH3CA12CA1CA2CA9
SCHEMBL9865465 0.78 MCHR1 (0.38) HRH3CA12CA1CA2CA9
SCHEMBL9866045 0.78 THRB (0.34) HRH3NR3C1
SCHEMBL9602675 0.78 TOP1 (0.38) HRH3CA12CA1CA2CA9

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