SCHEMBL9250550

SCHEMBL9250550

O=c1cc(-c2ccccc2SCc2ccccc2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
MEN1 O00255 5/20 0.57
ALDH1A1 P00352 4/20 0.57
THRB P10828 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HPGD P15428 2/20 0.45
LMNA P02545 2/20 0.45
PDE10A Q9Y233 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.43
CYP1A2 P05177 1/20 0.43
GAA P10253 1/20 0.43
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MDH2 P40926 1/20 0.41

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
SCHEMBL9254180 0.87 CTSV (0.52) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL30935740 0.74 KMT2A (1.00) KMT2AMEN1ALDH1A1THRBNPC1
SCHEMBL9446270 0.74 KMT2A (0.56) KMT2AMEN1ALDH1A1THRBNPC1
SCHEMBL9254946 0.72 GLA (0.45) KMT2AALDH1A1RAB9AHPGDRXFP1
SCHEMBL9258760 0.70 CYP19A1 (0.39) RAB9ACYP1A2
SCHEMBL31507105 0.70 TP53 (0.50) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL27040438 0.70 TP53 (0.50) KMT2AMEN1ALDH1A1HPGDLMNA
SCHEMBL9247982 0.70 CTSV (0.47) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL9251528 0.68 CTSV (0.46) KMT2AMEN1ALDH1A1NPC1RAB9A
SCHEMBL6295907 0.67 ALDH1A1 (0.81) KMT2AMEN1ALDH1A1THRBNPC1

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
US-5393756-A Treating rheumatoid arthritis or osteoarthritis THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-02-28 US disclosed
US-5225418-A Arthritis DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1993-07-06 US disclosed