SCHEMBL6130182

SCHEMBL6130182

Cc1ccc2c(c1)sc1ccccc12.Cc1ccc2sc3ccccc3c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 1/20 0.54
MAPT P10636 6/20 0.53
ALDH1A1 P00352 5/20 0.53
RAB9A P51151 3/20 0.53
HPGD P15428 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
POLB P06746 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
PTPN7 P35236 1/20 0.42
DUSP3 P51452 1/20 0.42
PTPN12 Q05209 1/20 0.42
PTPN22 Q9Y2R2 1/20 0.42
KDM4E B2RXH2 3/20 0.41
CYP1A2 P05177 1/20 0.41
NPC1 O15118 2/20 0.40
KIF11 P52732 1/20 0.40
BCL2L1 Q07817 1/20 0.40
MCL1 Q07820 1/20 0.40
GABRP O00591 1/20 0.39

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
SCHEMBL15785768 0.94 GPR3 (0.56) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL19130391 0.94 GPR3 (0.56) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL257003 0.94 GPR3 (0.61) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL808361 0.94 GPR3 (0.61) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL31677946 0.94 GPR3 (0.61) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL10068340 0.92 BCL2L1 (0.44) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL22738447 0.90 BCL2L1 (0.43) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL24362842 0.89 MAPT (0.50) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL24750413 0.87 MAPT (0.45) GPR3MAPTALDH1A1RAB9AHPGD
SCHEMBL24677507 0.87 ALDH1A1 (0.45) GPR3MAPTALDH1A1RAB9AHPGD

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
EP-1335962-A4 OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND SULPHCO INC (US) 2005-01-19 EP disclosed
EP-1335962-A1 OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND Sulphco.Inc. (US) 2003-08-20 EP disclosed
WO-2002026916-A1 OXIDATIVE DESULFURIZATION OF FOSSIL FUELS WITH ULTRASOUND SULPHCO. INC. (US) 2002-04-04 WO disclosed