SCHEMBL8964456

SCHEMBL8964456

Oc1[c]cc2sc3ccccc3c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.42
CYP1A2 P05177 1/20 0.40
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
PTPN7 P35236 1/20 0.38
DUSP3 P51452 1/20 0.38
PTPN12 Q05209 1/20 0.38
PTPN22 Q9Y2R2 1/20 0.38
POLB P06746 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALOX5 P09917 1/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36

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
SCHEMBL28573918 0.78 GPR3 (0.52) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL21879689 0.75 GPR3 (0.48) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
Dibenzothiophene SCHEMBL28316922 0.74 GPR3 (0.93) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL30077259 0.73 GPR3 (0.78) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL30451427 0.73 GPR3 (0.78) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL23917090 0.73 GPR3 (0.78) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL1637414 0.73 GPR3 (0.78) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3812478 0.72 GPR3 (0.61) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL30559653 0.72 GPR3 (0.61) GPR3MAPTALDH1A1RAB9ASMN1; SMN2
SCHEMBL3877060 0.72 GPR3 (0.61) GPR3MAPTALDH1A1RAB9ASMN1; SMN2

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
US-5587112-A DETECTION AND MEASUREMENT OF HIGH ENERGY PARTICLES AND ELECTROMAGNETC RADIATION PHILADELPHIA COLLEGE OF PHARMACY AND SCIENCE (US) 1996-12-24 US disclosed