SCHEMBL3105280

SCHEMBL3105280

CCCc1[nH]c(Cl)nc1Cl

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 4/20 0.44
PDK4 Q16654 2/20 0.39
TYMP P19971 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD17B10 Q99714 1/20 0.31
GLA P06280 1/20 0.30

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
SCHEMBL3111171 0.85 TYMP (0.37) PDK2TYMPCYP1A2CYP2C9TSHR
SCHEMBL3112403 0.81
SCHEMBL4751334 0.80 PDK2 (0.45) PDK2PDK4TYMP
SCHEMBL4152719 0.74 KDM4E (0.33)
SCHEMBL2823399 0.72 KDM4E (0.43) PDK2PDK4TYMPCYP2C9HSD17B10
SCHEMBL7572064 0.70 PDK2 (0.36) PDK2PDK4GLA
SCHEMBL6123017 0.68 TYMP (0.38) PDK2PDK4TYMPCYP1A2CYP2C9
SCHEMBL606 0.67 PDK2 (0.37) PDK2PDK4GLA
SCHEMBL27987556 0.65 SMPD3 (0.38)
SCHEMBL9156390 0.64 GLA (0.39) PDK2PDK4TYMPCYP1A2CYP2C9

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-2141151-B1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEM (JP) 2013-03-20 EP disclosed
EP-2141151-A1 METHOD FOR PRODUCING 2-HALOIMIDAZOLE COMPOUND SHIKOKU CHEMICALS CORPORATION (JP) 2010-01-06 EP disclosed