SCHEMBL2477804

SCHEMBL2477804

O=C(O)Oc1cc(Br)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
IKBKB O14920 1/20 0.38
PIN1 Q13526 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 1/20 0.36
KMO O15229 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DCLRE1B Q9H816 1/20 0.35
ABL1 P00519 1/20 0.35
SLC6A3 Q01959 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
CNR1 P21554 1/20 0.34
THRA P10827 1/20 0.34
THRB P10828 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
SCHEMBL2485667 0.82 TRPM8 (0.46) NPC1RAB9APOLBSMN1; SMN2KMT2A
SCHEMBL2485716 0.81 RORB (0.39) NPC1RAB9APOLBSMN1; SMN2PIN1
SCHEMBL420359 0.78 RAB9A (0.43) NPC1RAB9APOLBSMN1; SMN2IKBKB
SCHEMBL8235757 0.72 RORB (0.45) NPC1RAB9APOLBSMN1; SMN2PIN1
SCHEMBL9158487 0.72 DAO (0.34)
SCHEMBL422050 0.71 TRPM8 (0.53) NPC1RAB9ASMN1; SMN2KMT2AMAPT
SCHEMBL14631918 0.70 RORB (0.46) NPC1RAB9APOLBSMN1; SMN2IKBKB
SCHEMBL2480859 0.69 RXRA (0.41) NPC1RAB9ASMN1; SMN2IKBKBPIN1
SCHEMBL15189691 0.69 RORB (0.44) NPC1RAB9APOLBSMN1; SMN2PIN1
SCHEMBL3009703 0.69 PIN1 (0.50) NPC1RAB9APOLBSMN1; SMN2IKBKB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376482-B1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO KG (DE) 2013-03-06 EP disclosed
EP-2376482-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AiCuris GmbH & Co. KG (DE) 2011-10-19 EP disclosed
WO-2010075962-A1 SUBSTITUTED (THIOPHENYL-CARBONYL)IMIDAZOLIDINONES, AND USE THEREOF AICURIS GMBH & CO. KG (DE) 2010-07-08 WO disclosed