SCHEMBL11329675

SCHEMBL11329675

Cl[Zn-].N#[N+]c1ccc(Cl)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
CYP2A6 P11509 1/20 0.44
IDO1 P14902 2/20 0.35
TSHR P16473 2/20 0.33
MAPK1 P28482 2/20 0.33
HIF1A Q16665 1/20 0.33
AHR P35869 1/20 0.32
CYP1A2 P05177 2/20 0.32
DRD2 P14416 1/20 0.31
MGLL Q99685 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ENPP2 Q13822 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL3469053 0.94
SCHEMBL38660753 0.92 LMNA (0.47) LMNACYP2A6IDO1TSHRMAPK1
Hydrochloric Acid SCHEMBL1578783 0.92 LMNA (0.47) LMNACYP2A6IDO1TSHRMAPK1
SCHEMBL10706019 0.92 LMNA (0.47) LMNACYP2A6IDO1TSHRMAPK1
Hydrochloric Acid SCHEMBL19358473 0.92 LMNA (0.47) LMNACYP2A6IDO1TSHRMAPK1
SCHEMBL28074183 0.84 LMNA (0.40) LMNACYP2A6IDO1
SCHEMBL1165343 0.84 LMNA (0.40) LMNACYP2A6IDO1CYP1A2
SCHEMBL8037109 0.80 FBP1 (0.41) LMNACYP2A6TSHRMAPK1CYP1A2
Phosphoric Acid SCHEMBL11318475 0.80 LMNA (0.36) LMNACYP2A6MAPK1MGLLCES2
Hydrochloric Acid SCHEMBL10895860 0.79 SCN9A (0.41) LMNACYP2A6IDO1MAPK1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4252884-A DIAZONIUM SALT, BLOCKED PHENOLIC COUPLER JAMES RIVER GRAPHICS, INC. (US) 1981-02-24 US disclosed