SCHEMBL8714035

SCHEMBL8714035

CCCCN1c2ccccc2Sc2cc(CO)ccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.56
SIGMAR1 Q99720 5/20 0.50
TP53 P04637 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2D6 P10635 3/20 0.50
THPO P40225 3/20 0.50
MTOR P42345 3/20 0.50
TSHR P16473 2/20 0.50
SLC22A1 O15245 2/20 0.50
PRNP P04156 2/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
HTR1A P08908 2/20 0.50
CHRM5 P08912 2/20 0.50
ADRA2A P08913 2/20 0.50
CHRM1 P11229 2/20 0.50
DRD2 P14416 2/20 0.50
ADRA2B P18089 2/20 0.50
ADRA2C P18825 2/20 0.50
CHRM3 P20309 2/20 0.50

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
SCHEMBL25842306 0.92 KDM1A (0.48) KDM1ASIGMAR1TP53CYP1A2CYP2D6
SCHEMBL8715308 0.86 PTGS1 (0.46) KDM1ATP53CYP1A2CYP2D6SLC22A1
SCHEMBL31302974 0.84 KDM1A (0.73) KDM1ASIGMAR1TP53CYP1A2CYP2D6
SCHEMBL7998997 0.84 KDM1A (0.73) KDM1ASIGMAR1TP53CYP1A2CYP2D6
SCHEMBL30628542 0.84 KDM1A (0.73) KDM1ASIGMAR1TP53CYP1A2CYP2D6
SCHEMBL7125071 0.83 MAOA (0.61) KDM1AADRA2AADRA2BADRA2CCHRM3
SCHEMBL14947365 0.82 KDM1A (0.59) KDM1ASIGMAR1TP53CYP1A2CYP2D6
Iodide SCHEMBL13735812 0.81 KDM1A (0.69) KDM1ASIGMAR1TP53CYP1A2CYP2D6
SCHEMBL17419212 0.81 KDM1A (0.58) KDM1ASIGMAR1TP53CYP1A2CYP2D6
SCHEMBL23954152 0.80 KDM1A (0.49) KDM1ASIGMAR1TP53CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101125960-B Phenothiazines dye used for dye sensitization solar battery UNIV DALIAN TECH 2011-05-04 CN disclosed
CN-101125960-A Phenothiazines dye used for dye sensitization solar battery DALIAN TECHNICAL UNIVERSITY (CN) 2008-02-20 CN disclosed
US-5830902-A SQUALENE SYNTHASE INHIBITOR YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1998-11-03 US disclosed
CN-1177353-A Novel quinuclidine derivatives having tricyclic fused hereto ring YAMANOUCHI PHARMA CO LTD (JP) 1998-03-25 CN disclosed
EP-0812840-A1 NOVEL QUINUCLIDINE DERIVATIVES HAVING TRICYCLIC FUSED HETERO RING YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-12-17 EP disclosed