SCHEMBL16401421

SCHEMBL16401421

[CH2]c1cn(Cc2cccc(Cl)c2)nn1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.59
KDR P35968 2/20 0.50
JAK2 O60674 1/20 0.50
ROCK2 O75116 1/20 0.50
GSK3B P49841 1/20 0.50
AURKB Q96GD4 1/20 0.50
NOTUM Q6P988 1/20 0.45
TEK Q02763 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
CYP19A1 P11511 4/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KCNMA1 Q12791 1/20 0.44
F2 P00734 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL16401451 0.83 CYP19A1 (0.61) CYP19A1NPC1RAB9A
SCHEMBL16401955 0.82 NOTUM (0.65) KDRROCK2GSK3BAURKBNOTUM
SCHEMBL16401868 0.81 CD74 (0.48) TYRCYP19A1KCNMA1NPC1RAB9A
SCHEMBL16401596 0.81 SIGMAR1 (0.51) ROCK2GSK3BAURKBSIGMAR1CYP11B1
SCHEMBL16219152 0.81 TYR (0.52) TYRKDRJAK2ROCK2GSK3B
SCHEMBL16218784 0.80 TYR (0.60) TYRKDRJAK2ROCK2GSK3B
SCHEMBL16219151 0.80 TYR (0.60) TYRKDRJAK2ROCK2GSK3B
SCHEMBL16216237 0.80 CYP19A1 (0.74) TYRKDRJAK2ROCK2GSK3B
SCHEMBL16401703 0.78 GPR55 (0.55) KDRTEK
SCHEMBL21557005 0.77 TYR (0.58) TYRNOTUMCYP19A1

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
WO-2015007613-A1 O-ALKYL TRIAZOLYL CARBAMATES AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE (FAAH) FONDAZIONE ISTITUTO ITALIANO DI TECNOLOGIA (IT) 2015-01-22 WO disclosed