SCHEMBL7667376

SCHEMBL7667376

COc1ccc(Oc2c(Cl)cccc2Cl)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 3/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
PLA2G1B P04054 1/20 0.38
POLB P06746 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
NPSR1 Q6W5P4 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C19 P33261 1/20 0.37
NFE2L2 Q16236 2/20 0.36
DHPS P49366 3/20 0.35
PDE2A O00408 2/20 0.35
PDE10A Q9Y233 2/20 0.35
NQO2 P16083 1/20 0.34

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
SCHEMBL7670809 0.79 S1PR4 (0.40) L3MBTL1HPGDMAPTRAB9AGAA
SCHEMBL7668470 0.76 KEAP1 (0.46) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL7666314 0.76 L3MBTL1 (0.49) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL7674060 0.75 S1PR4 (0.50) HPGDMAPTALDH1A1LMNAHTT
SCHEMBL7666779 0.75 HTR2A (0.44) L3MBTL1HPGDMAPTMAPK1ALDH1A1
SCHEMBL7668891 0.72 HTR2A (0.41) L3MBTL1MAPTMAPK1ALDH1A1NPSR1
SCHEMBL7662189 0.72 L3MBTL1 (0.38) L3MBTL1MAPTMAPK1ALDH1A1RAB9A
SCHEMBL7665088 0.72 NPSR1 (0.40) MAPTALDH1A1POLBNPSR1KDM4E
SCHEMBL7664554 0.72 ALDH1A1 (0.47) MAPTMAPK1ALDH1A1GAAKDM4E
SCHEMBL29581181 0.72 HPGD (0.40) HPGDMAPTMAPK1ALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed