SCHEMBL4735385

SCHEMBL4735385

Clc1ccncc1.Clc1ccncc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.57
LMNA P02545 4/20 0.50
MAPT P10636 2/20 0.50
CYP2A6 P11509 1/20 0.50
GCGR P47871 1/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TSHR P16473 2/20 0.44
HDAC8 Q9BY41 1/20 0.44
CYP2D6 P10635 1/20 0.44
CHRM1 P11229 1/20 0.44
KCNA1 Q09470 1/20 0.44
NT5E P21589 1/20 0.43
CTSD P07339 1/20 0.42
DDAH1 O94760 1/20 0.42
NOS1 P29475 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6842 1.00
SCHEMBL14690989 1.00
SCHEMBL29843433 0.96
Hydrochloric Acid SCHEMBL25275623 0.96
Hydrochloric Acid SCHEMBL7292 0.96
Benzene SCHEMBL29047908 0.93 TSHR (0.53) CYP19A1LMNAMAPTCYP2A6GCGR
Ammonia Solution, Strong SCHEMBL28661135 0.93
Formaldehyde SCHEMBL27738996 0.90
Bromomethane SCHEMBL9741255 0.90
Methyl Alcohol SCHEMBL28216448 0.90

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
WO-2008048216-A2 ELECTROCATALYTIC DETECTION OF CARBON NANOTUBES THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2008-04-24 WO disclosed
US-20040241738-A1 Detection of binding reactions using labels detected by mediated catalytic electrochemistry STEWART DAVID H (US) 2004-12-02 US disclosed