SCHEMBL7096288

SCHEMBL7096288

Clc1ccc(C2=Cc3ncccc3C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
RAB9A P51151 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GLA P06280 2/20 0.36
GAA P10253 2/20 0.36
ACHE P22303 2/20 0.35
NPY5R Q15761 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDCD1 Q15116 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
NPC1 O15118 2/20 0.34
CYP19A1 P11511 1/20 0.33
LMNA P02545 2/20 0.33
KMT2A Q03164 2/20 0.33
BCHE P06276 1/20 0.33
BACE1 P56817 1/20 0.33
MEN1 O00255 1/20 0.33

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
SCHEMBL7094263 0.85 CYP11B1 (0.45) CYP11B1CYP11B2RAB9AALDH1A1NPC1
SCHEMBL7095208 0.84 CYP11B1 (0.47) CYP11B1CYP11B2RAB9AKDM4EALDH1A1
SCHEMBL7094267 0.83 CYP11B1 (0.37) CYP11B1CYP11B2RAB9AKDM4EALDH1A1
SCHEMBL7093600 0.83 CYP11B1 (0.41) CYP11B1CYP11B2RAB9AKDM4EALDH1A1
SCHEMBL7090626 0.82 CYP11B1 (0.36) CYP11B1CYP11B2KDM4EADRB2
SCHEMBL7090601 0.80 KMT2A (0.44) CYP11B1CYP11B2RAB9AKDM4EALDH1A1
SCHEMBL7094835 0.80 CLK4 (0.49) CYP11B1CYP11B2RAB9AKDM4EALDH1A1
SCHEMBL7093370 0.80 KIF11 (0.41) CYP11B1CYP11B2ACHENPY5RPDCD1
SCHEMBL7090607 0.75 CYP11B1 (0.36) CYP11B1CYP11B2RAB9AALDH1A1ACHE
SCHEMBL7093389 0.72 CYP11B1 (0.34) CYP11B1CYP11B2NPY5RPDCD1CD274

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0910560-B1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES BASELL POLYOLEFINE GMBH (DE) 2003-09-17 EP disclosed
US-6271411-B1 REACTING AN INDENE WITH AN ARENE COMPOUND SUBSTITUTED WITH AN HALOGEN ATOM, PREFERABLY A IODINE ATOM, OR WITH AN ORGANOSULPHONATE GROUP, IN A BASIC MEDIUM IN THE PRESENCE OF A PALLADIUM CATALYST. MONTELL TECHNOLOGY COMPANY BV (NL) 2001-08-07 US disclosed
EP-0910560-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES Montell Technology Company bv (NL) 1999-04-28 EP disclosed
WO-1998046547-A1 PROCESS FOR PREPARING 2-ARYL-SUBSTITUTED INDENES MONTELL TECHNOLOGY COMPANY B.V. (NL) 1998-10-22 WO disclosed