SCHEMBL13398286

SCHEMBL13398286

Oc1ccccc1-c1ccc2[nH]c(C(Cl)(Cl)Cl)nc2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.46
▸ QPCTL Q9NXS2 1/20 0.46
▸ ESR2 Q92731 1/20 0.42
▸ F7 P08709 1/20 0.42
▸ TRPV1 Q8NER1 1/20 0.41
▸ PIK3R1 P27986 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PRKAG1 P54619 2/20 0.41
▸ PRKAB1 Q9Y478 2/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAA2 P54646 1/20 0.40
▸ PTPN5 P54829 1/20 0.39
▸ GUSB P08236 2/20 0.38
▸ MGAM O43451 2/20 0.38
▸ DHODH Q02127 1/20 0.37
▸ TRPA1 O75762 1/20 0.37
▸ CDK4 P11802 1/20 0.36
▸ CCNA2 P20248 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK2 P24941 1/20 0.36

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
SCHEMBL5512134 0.81 DYRK3 (0.42) NPSR1GAA
SCHEMBL2359317 0.78 TRPA1 (0.56) TRPA1NPSR1
SCHEMBL1509447 0.75 LOXL2 (0.54) DHODH
SCHEMBL14920204 0.72 NPSR1 (0.43) NPSR1
SCHEMBL20494892 0.71 DGAT1 (0.42) NPSR1
SCHEMBL244984 0.71 NPSR1 (0.66) NPSR1KDRGAA
SCHEMBL20495149 0.71 ABL1 (0.42) PTPN5
SCHEMBL1358509 0.71 HRH4 (0.41) F7NPSR1
SCHEMBL20495460 0.70 NPC1 (0.44) PRKAG1PRKAB1PRKAA1GAA
SCHEMBL5773139 0.69 NOS1 (0.38) NPSR1

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-2349256-B1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2013-01-23 — — EP disclosed
WO-2010045166-A1 HETEROCYCLIC BENZIMIDAZOLES AS TRPM8 MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2010-04-22 — — WO disclosed
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