SCHEMBL8917044

SCHEMBL8917044

Cc1ccc2c(N3CC[N]CC3)csc2c1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 13/20 0.48
TP53 P04637 9/20 0.48
THRB P10828 2/20 0.47
USP2 O75604 2/20 0.47
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.40
ALDH1A1 P00352 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8919052 0.88 MAPT (0.58) MAPTTP53THRBUSP2LMNA
SCHEMBL8653538 0.82 MAPT (0.48) MAPTTP53THRBLMNAALDH1A1
SCHEMBL8915792 0.73 MAPT (0.58) MAPTTP53THRBUSP2LMNA
SCHEMBL3123741 0.72 MAPT (0.54) MAPTTP53LMNAPOLBALDH1A1
SCHEMBL2836561 0.72 MAPT (0.51) MAPTTP53THRBLMNAPOLB
SCHEMBL22860672 0.71 MAPT (0.79) MAPTTP53THRBUSP2LMNA
SCHEMBL23010594 0.70 MAPT (0.58) MAPTTP53THRBUSP2LMNA
SCHEMBL8916906 0.70 DRD2 (0.38) MAPTTP53THRBUSP2LMNA
SCHEMBL8917934 0.70 MAPT (0.39) MAPTTP53LMNAPOLBALDH1A1
SCHEMBL8917269 0.70 ADRB1 (0.34) MAPTTP53LMNAALDH1A1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US claimed
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