SCHEMBL21170629

SCHEMBL21170629

Ic1ccc(-c2ccc(-c3ccc4sc5ccccc5c4c3)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.52
ALDH1A1 P00352 5/20 0.43
MAPT P10636 4/20 0.43
RAB9A P51151 2/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PIM3 Q86V86 1/20 0.40
CYP1A2 P05177 1/20 0.40
KDM4E B2RXH2 2/20 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
LIMK1 P53667 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
POLB P06746 1/20 0.37
ALOX5 P09917 1/20 0.37
PTPN1 P18031 2/20 0.37
PTGIR P43119 1/20 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
SCHEMBL17197600 1.00 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL26551111 0.93 GPR3 (0.45) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL26552674 0.93 GPR3 (0.45) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL26553579 0.92 GPR3 (0.44) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL26568482 0.92 GPR3 (0.44) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL15089150 0.91 LIMK1 (0.45) GPR3ALDH1A1PIM3CYP1A2LIMK1
SCHEMBL17720221 0.89 GPR3 (0.52) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL15836057 0.88 GPR3 (0.67) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL15836028 0.88 GPR3 (0.67) GPR3ALDH1A1MAPTRAB9AHPGD
SCHEMBL20706794 0.88 GPR3 (0.67) GPR3ALDH1A1MAPTRAB9AHPGD

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-2468725-B1 AROMATIC AMINE DERIVATIVES AND ORGANIC ELECTROLUMINESCENT ELEMENTS USING SAME IDEMITSU KOSAN CO (JP) 2019-07-17 EP disclosed