SCHEMBL6205843

SCHEMBL6205843

O=C(O)c1ccc(CSc2ccccc2)cc1.O=C(O)c1ccc(CSc2ncccn2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
HPGD P15428 6/20 0.63
MAPT P10636 4/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
MEN1 O00255 3/20 0.63
KMT2A Q03164 3/20 0.63
HSD17B10 Q99714 1/20 0.60
PKM P14618 1/20 0.54
APOBEC3A P31941 1/20 0.54
APOBEC3G Q9HC16 1/20 0.54
LMNA P02545 3/20 0.54
MAPK1 P28482 1/20 0.51
VCP P55072 1/20 0.51
ALDH1A1 P00352 4/20 0.50
KDM4E B2RXH2 1/20 0.50
CYP2C9 P11712 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL1750521 0.92 POLB (0.69) POLBHPGDMAPTNPC1RAB9A
SCHEMBL509527 0.87 HPGD (0.61) POLBHPGDMAPTNPC1RAB9A
SCHEMBL3888099 0.81 HPGD (0.61) POLBHPGDMAPTNPC1RAB9A
SCHEMBL11187836 0.80 GSK3B (0.58) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL315313 0.79 POLB (1.00) POLBHPGDMAPTNPC1RAB9A
SCHEMBL11085814 0.78 POLB (0.55) POLBHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1029180 0.77 HSD17B10 (1.00) HPGDMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL4016952 0.76 POLB (0.57) POLBHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL315037 0.76 SMN1; SMN2 (0.68) POLBHPGDMAPTNPC1RAB9A
SCHEMBL4321171 0.76 POLB (0.56) POLBHPGDMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1597228-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS Sanofi-Aventis Deutschland GmbH (DE) 2005-11-23 EP disclosed
WO-2004072025-A2 SUBSTITUTED N-ARYLHETEROCYCLES, METHOD FOR PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 WO disclosed