SCHEMBL8916455

SCHEMBL8916455

CCc1c(CCN2CCN(c3csc4ccc(C)cc34)CC2)sc2c1CCN(C(C)=O)C2

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.44
TP53 P04637 7/20 0.44
THRB P10828 2/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.38
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35

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
SCHEMBL8915765 0.94 MAPT (0.38) MAPTTP53THRBUSP2POLB
SCHEMBL8919168 0.91 TP53 (0.49) MAPTTP53THRBLMNABAZ2B
SCHEMBL8916994 0.86 HTR2A (0.43) MAPTTP53MEN1KMT2ABAZ2B
SCHEMBL8919123 0.86 DRD2 (0.39) MAPTTP53POLBMEN1KMT2A
SCHEMBL8917688 0.85 MAPT (0.37) MAPTTP53POLBLMNAMEN1
SCHEMBL8916959 0.84 TP53 (0.39) MAPTTP53THRBPOLB
SCHEMBL8918541 0.84 TP53 (0.38) MAPTTP53THRBPOLB
SCHEMBL8917921 0.83 MAPT (0.37) MAPTTP53THRBPOLBLMNA
SCHEMBL8919144 0.82 TP53 (0.38) MAPTTP53THRBPOLB
SCHEMBL8917290 0.82 TP53 (0.36) MAPTTP53THRBPOLB

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-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed