SCHEMBL23729062

SCHEMBL23729062

Ic1c(-c2cccc3oc4ccccc4c23)cccc1-c1cccc2sc3ccccc3c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRDT Q58F21 1/20 0.40
GPR3 P46089 1/20 0.37
MAOA P21397 3/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 2/20 0.33
GLA P06280 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
PGAM1 P18669 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CDC14B O60729 1/20 0.33
CDC14A Q9UNH5 1/20 0.33
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
DUSP3 P51452 1/20 0.32
BLM P54132 1/20 0.32

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
SCHEMBL20821689 0.92 BRDT (0.44) BRDTGPR3MAOAMAPTALDH1A1
SCHEMBL23729696 0.87 GPR3 (0.48) BRDTGPR3MAOAMAPTALDH1A1
SCHEMBL23729318 0.86 HPGD (0.43) MAOAMAPTALDH1A1GLAKDM4E
SCHEMBL21971534 0.82 BRDT (0.38) BRDTGPR3MAOAMAPTALDH1A1
SCHEMBL23729315 0.80 GPR3 (0.41) BRDTGPR3MAPTALDH1A1HPGD
SCHEMBL25138480 0.79 BRDT (0.38) BRDTGPR3MAOAMAPTALDH1A1
SCHEMBL25138708 0.79 BRDT (0.38) BRDTGPR3MAOAMAPTALDH1A1
SCHEMBL20821581 0.79 ALOX5 (0.50) BRDTGPR3MAOAALOX5
SCHEMBL23820291 0.79 BRDT (0.36) BRDTGPR3MAPTALDH1A1KDM4E
SCHEMBL16553298 0.79 GPR3 (0.59) BRDTGPR3MAOAMAPTALDH1A1

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
EP-3858945-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES Universal Display Corporation (US) 2021-08-04 EP disclosed