SCHEMBL6872133

SCHEMBL6872133

O=C(O)c1nc(-c2ccc(Cl)cc2Cl)[nH]c1-c1ccc(Br)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 3/20 0.46
GUSB P08236 1/20 0.43
PIM1 P11309 1/20 0.43
CSNK2A2 P19784 1/20 0.43
CSNK2B P67870 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
CRHBP P24387 1/20 0.43
RAB9A P51151 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MARS1 P56192 1/20 0.43
SRD5A2 P31213 1/20 0.42
MCL1 Q07820 1/20 0.41
CHEK2 O96017 1/20 0.41
PIN1 Q13526 1/20 0.41
ALPL P05186 1/20 0.40
NPBWR1 P48145 1/20 0.40

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
SCHEMBL6468485 0.81 MAPK14 (0.55) GUSBPIM1CSNK2A2CSNK2BPIM3
SCHEMBL9223207 0.78 PIN1 (0.53) GUSBKDM4ENPC1CRHBPRAB9A
SCHEMBL6473195 0.75 TARBP2 (0.51) KDM4ENPC1RAB9ASMN1; SMN2ALPL
SCHEMBL9220606 0.73 MEN1 (0.52) GUSBKDM4ENPC1CRHBPRAB9A
SCHEMBL7989339 0.72 MAPK14 (0.46) DHODHGUSBKDM4EMCL1PIN1
SCHEMBL7989925 0.71 MAPK14 (0.62) KDM4ENPC1RAB9ASMN1; SMN2CHEK2
SCHEMBL7977996 0.71 TRPV1 (0.49) CHEK2PIN1MAPK14GCGRMMP2
SCHEMBL7989653 0.71 MAPK14 (0.55) GUSBKDM4ENPC1RAB9AMAPK14
SCHEMBL2948138 0.70 MAPK13 (0.58) GUSBKDM4EMAPK14GCGR
SCHEMBL7991890 0.69 BRAF (0.48) CHEK2PIN1MAPK14GCGR

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-1438296-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-07-21 EP disclosed
WO-2003027076-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-04-03 WO disclosed