SCHEMBL27635289

SCHEMBL27635289

Cc1cc(-c2ccc(O)cc2)c(-c2nc(C)c(C)s2)nc1C

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.37
ESR2 Q92731 4/20 0.37
USP7 Q93009 1/20 0.37
APP P05067 4/20 0.36
MAPT P10636 1/20 0.36
SULT1A1 P50225 1/20 0.36
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
GLA P06280 1/20 0.34
AOC3 Q16853 1/20 0.34

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
SCHEMBL9436375 0.79 RAB9A (0.49) MAPTGLAAOC3
SCHEMBL27616039 0.78 KMT2A (0.56) ESR1ESR2USP7MAPTADORA2A
SCHEMBL27635292 0.78 HTR2B (0.46) MAPTADORA2AADORA1
Bromide SCHEMBL9195420 0.77 RAB9A (0.47) MAPTGLAAOC3
SCHEMBL3894243 0.76 ADORA2A (0.37) MAPTADORA2AADORA1AOC3
SCHEMBL10190451 0.67 ESR2 (0.56) ESR1ESR2USP7
SCHEMBL3976477 0.65 KMT2A (0.48) ESR1ESR2USP7MAPT
SCHEMBL17016701 0.65 SLC2A1 (0.49) MAPT
SCHEMBL4138997 0.64 KDM4E (0.58) APPMAPTAOC3
SCHEMBL28204878 0.64 ESR2 (0.52) ESR1ESR2USP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1688549-A Compound having TGF-beta inhibitory activity and medicinal composition containing the same KIRIN BREWERY (JP) 2005-10-26 CN disclosed