SCHEMBL3629358

SCHEMBL3629358

CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(Cl)cc1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccc(I)cc1

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.63
MEN1 O00255 3/20 0.58
RAB9A P51151 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
MAPT P10636 3/20 0.58
TP53 P04637 3/20 0.58
PTPN1 P18031 2/20 0.58
ANO1 Q5XXA6 7/20 0.55
NLRP3 Q96P20 1/20 0.54
PTPRC P08575 1/20 0.53
PTPN2 P17706 1/20 0.53
PTPA Q15257 1/20 0.53
ANO2 Q9NQ90 1/20 0.51

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
SCHEMBL3627300 0.88 MAPT (0.72) THRBMEN1RAB9AKMT2ANPC1
SCHEMBL3629109 0.88 MAPT (0.72) THRBMEN1RAB9AKMT2ANPC1
SCHEMBL3620747 0.88 THRB (0.80) THRBMEN1RAB9AKMT2ANPC1
SCHEMBL3630314 0.81 MEN1 (0.78) THRBMEN1RAB9AKMT2ANPC1
SCHEMBL3630934 0.81 MEN1 (0.78) MEN1RAB9AKMT2ANPC1ANO1
SCHEMBL3629623 0.81 MEN1 (0.80) MEN1RAB9AKMT2ANPC1TP53
SCHEMBL3630211 0.81 MEN1 (0.78) MEN1RAB9AKMT2ANPC1ANO1
SCHEMBL3628382 0.81 MEN1 (0.80) MEN1RAB9AKMT2ANPC1TP53
SCHEMBL3629758 0.81 MEN1 (0.80) MEN1RAB9AKMT2ANPC1MAPT
SCHEMBL21247385 0.81 TP53 (0.72) THRBMEN1RAB9AKMT2AMAPT

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-2200607-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM Calcimedica, Inc. (US) 2010-06-30 EP disclosed
WO-2009035818-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM CALCIMEDICA, INC. (US) 2009-03-19 WO disclosed