SCHEMBL1917580

SCHEMBL1917580

CCc1cccc[n+]1CI

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
HDAC8 Q9BY41 1/20 0.32
KDM4E B2RXH2 2/20 0.31
MEN1 O00255 1/20 0.30
RGS12 O14924 1/20 0.30
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
HSP90AA1 P07900 1/20 0.30
THRB P10828 1/20 0.30
MAPK1 P28482 1/20 0.30
HTT P42858 1/20 0.30
RAD52 P43351 1/20 0.30
KMT2A Q03164 1/20 0.30
MCL1 Q07820 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL642718 0.82 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2POLB
SCHEMBL29561021 0.82 TP53 (0.40) TP53NPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL30330520 0.80 KDM4E (0.39) TP53NPC1RAB9ASMN1; SMN2POLB
Iodide SCHEMBL9877545 0.80 KDM4E (0.42) TP53NPC1RAB9ASMN1; SMN2POLB
Bromide SCHEMBL15941654 0.80 NPC1 (0.41) TP53NPC1RAB9ASMN1; SMN2POLB
Hydrochloric Acid SCHEMBL9327099 0.80 KDM4E (0.39) TP53NPC1RAB9ASMN1; SMN2POLB
Iodide SCHEMBL31026694 0.80 KDM4E (0.42) TP53NPC1RAB9ASMN1; SMN2POLB
SCHEMBL4062501 0.78 RAB9A (0.39) TP53NPC1RAB9ASMN1; SMN2POLB
SCHEMBL18538790 0.77 NPC1 (0.38) TP53NPC1RAB9ASMN1; SMN2POLB
SCHEMBL30330585 0.77 KDM4E (0.40) TP53NPC1RAB9ASMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2326802-A2 OPERATIONAL FLUID FOR A VAPOUR CIRCUIT PROCESSING DEVICE AND A METHOD FOR OPERATING SAME Voith Patent GmbH (DE) 2011-06-01 EP disclosed
WO-2010017981-A2 OPERATIONAL FLUID FOR A VAPOUR CIRCUIT PROCESSING DEVICE AND A METHOD FOR OPERATING SAME VOITH PATENT GMBH (DE) 2010-02-18 WO disclosed
EP-1893651-A2 SOLUBILITY OF CELLULOSE IN IONIC LIQUIDS WITH ADDITION OF AMINO BASES BASF SE (DE) 2008-03-05 EP disclosed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP disclosed
WO-2006108861-A2 SOLUBILITY OF CELLULOSE IN IONIC LIQUIDS WITH ADDITION OF AMINO BASES BASF AKTIENGESELLSCHAFT (DE) 2006-10-19 WO disclosed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO disclosed