SCHEMBL1704671

SCHEMBL1704671

O=c1[nH]c2c(CC#CI)cc(Cl)cc2o1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
ADRA2A P08913 1/20 0.36
TSHR P16473 1/20 0.36
NOS3 P29474 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
THPO P40225 1/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KMO O15229 1/20 0.35
GRM5 P41594 2/20 0.32

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
SCHEMBL8445709 0.78 MCL1 (0.41) GRM5
SCHEMBL10884762 0.71 KMO (0.50) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL21066433 0.68 NOS1 (0.44) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL10884377 0.64 KMO (0.55) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL9275325 0.63 MCL1 (0.41) GRM5
SCHEMBL14698539 0.62 F2 (0.36) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL5547925 0.59 KMO (0.47) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL15319641 0.59 KMO (0.47) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL5547929 0.59 NOS1 (0.49) LMNACYP1A2ADRA2ATSHRNOS3
SCHEMBL1519891 0.57 NOS1 (0.72) LMNACYP1A2ADRA2ATSHRNOS3

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-2440044-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN Lanxess Deutschland GmbH (DE) 2012-04-18 EP claimed
WO-2010142795-A2 INORGANIC CARRIER MATERIALS CONTAINING NITROGEN LANXESS DEUTSCHLAND GMBH (DE) 2010-12-16 WO claimed