SCHEMBL3655957

SCHEMBL3655957

O=c1cc(Cl)sn1Cc1ccc(Cl)cc1.O=c1ccsn1Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.57
G6PD P11413 2/20 0.57
HPGD P15428 2/20 0.57
ALOX15 P16050 2/20 0.57
HSD17B10 Q99714 2/20 0.57
MAPT P10636 1/20 0.57
PKM P14618 1/20 0.57
HTT P42858 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
KAT2B Q92831 12/20 0.47
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
KAT2A Q92830 1/20 0.42
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
HIF1A Q16665 1/20 0.40
PDE1B Q01064 1/20 0.35
PIN1 Q13526 1/20 0.34

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
SCHEMBL2808252 0.89 ALDH1A1 (0.70) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL678175 0.89 KAT2B (0.58) MAPTKAT2BEP300CREBBPKAT2A
SCHEMBL6931122 0.76 KAT2B (0.53) ALDH1A1KAT2BEP300CREBBPKAT2A
SCHEMBL9321009 0.76 ALDH1A1 (0.62) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL7628912 0.76 ALDH1A1 (0.51) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL5593712 0.76 KAT2B (0.55) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL80967 0.75 KAT2B (0.58) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL7307539 0.75 MAPT (0.70) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL5593629 0.74 KAT2B (0.49) ALDH1A1G6PDHPGDALOX15HSD17B10
SCHEMBL5593583 0.74 ALDH1A1 (0.68) ALDH1A1G6PDHPGDALOX15HSD17B10

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-2207416-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM World Minerals, Inc. (US) 2010-07-21 EP disclosed
WO-2009045941-A1 ENHANCED RETENTION CAPABILITIES THROUGH METHODS COMPRISING SURFACE TREATMENT OF FUNCTIONAL PARTICULATE CARRIER MATERIALS, AND FUNCTIONAL PARTICULATE CARRIER MATERIALS MADE THEREFROM WORLD MINERALS, INC. (US) 2009-04-09 WO disclosed