SCHEMBL15044749

SCHEMBL15044749

Cc1cccc(C(=O)NCCS(=O)(=O)CCO)c1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
ATM Q13315 1/20 0.50
GAA P10253 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.49
POLB P06746 1/20 0.48
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
KCNK3 O14649 1/20 0.47
KCNH2 Q12809 1/20 0.47
KCNK9 Q9NPC2 1/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL13715985 0.84 NPC1 (0.52) NPC1RAB9AMEN1KMT2ACA1
SCHEMBL842631 0.84 NPC1 (0.68) NPC1RAB9AMEN1KMT2AATM
SCHEMBL8517143 0.83 KDM4E (0.45) MEN1KMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL15044687 0.82 MMP13 (0.57) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL8517210 0.81 MEN1 (0.42) NPC1RAB9AMEN1KMT2AGAA
SCHEMBL14679386 0.81 NPC1 (0.64) NPC1RAB9AMEN1KMT2AATM
SCHEMBL7055005 0.80 NPC1 (0.62) NPC1RAB9AMEN1KMT2AATM
SCHEMBL14453125 0.79 NPC1 (0.58) NPC1RAB9AMEN1KMT2ACA1
SCHEMBL15834056 0.78 MEN1 (0.63) NPC1RAB9AMEN1KMT2AATM
SCHEMBL9492626 0.77 NPC1 (0.68) NPC1RAB9AMEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 US disclosed
US-8961621-B2 Azo dyes HUNTSMAN INTERNATIONAL LLC (US) 2015-02-24 US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 US disclosed
US-20140304926-A1 Azo Dyes HUNTSMAN INTERNATIONAL LLC 2014-10-16 US disclosed
WO-2013087400-A2 AZO DYES HUNTSMAN ADVANCED MATERIALS (SWITZERLAND) GMBH (CH) 2013-06-20 WO disclosed