SCHEMBL2638997

SCHEMBL2638997

CCc1cccc[n+]1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
POLB P06746 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.31
APOBEC3A P31941 1/20 0.31
GFER P55789 1/20 0.31
KMT2A Q03164 1/20 0.31
APOBEC3G Q9HC16 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
Bromide SCHEMBL31236838 0.84 NPC1 (0.36) NPC1RAB9APOLBSMN1; SMN2MEN1
Hydrochloric Acid SCHEMBL11543255 0.84 CFTR (0.33) NPC1RAB9APOLBSMN1; SMN2MEN1
SCHEMBL29561021 0.80 TP53 (0.40) TP53NPC1RAB9APOLBSMN1; SMN2
SCHEMBL642718 0.80 TP53 (0.40) TP53NPC1RAB9APOLBSMN1; SMN2
Iodide SCHEMBL31026694 0.78 KDM4E (0.42) TP53NPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL9327099 0.78 KDM4E (0.39) TP53NPC1RAB9APOLBSMN1; SMN2
Hydrochloric Acid SCHEMBL30330520 0.78 KDM4E (0.39) TP53NPC1RAB9APOLBSMN1; SMN2
Bromide SCHEMBL15941654 0.78 NPC1 (0.41) TP53NPC1RAB9APOLBSMN1; SMN2
Iodide SCHEMBL9877545 0.78 KDM4E (0.42) TP53NPC1RAB9APOLBSMN1; SMN2
SCHEMBL1917580 0.77 TP53 (0.37) TP53NPC1RAB9APOLBSMN1; SMN2

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
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO claimed
JP-4794561-B2 2011-10-19 JP claimed
EP-1789160-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2007-05-30 EP claimed
WO-2006029788-A1 METHOD FOR SEPARATING HYDROGEN CHLORIDE AND PHOSGENE BASF AKTIENGESELLSCHAFT (DE) 2006-03-23 WO claimed
WO-2012130803-A1 METHOD FOR SEPARATING OFF HALOGENS FROM MIXTURES OF MATTER BAYER TECHNOLOGY SERVICES GMBH (DE) 2012-10-04 WO disclosed