SCHEMBL7668578

SCHEMBL7668578

CCCc1cnc(-c2ccccc2Oc2c(Cl)cccc2Cl)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SREBF2 Q12772 1/20 0.35
▸ PDCD1 Q15116 1/20 0.34
▸ CD274 Q9NZQ7 1/20 0.34
▸ ALOX5AP P20292 2/20 0.34
▸ FEN1 P39748 2/20 0.34
▸ CYP1A2 P05177 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ CLK4 Q9HAZ1 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ MAPKAPK2 P49137 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ CYP2D6 P10635 1/20 0.31

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
SCHEMBL7664382 0.82 SLC6A2 (0.43) L3MBTL1SREBF2LMNANPSR1TSHR
SCHEMBL7673906 0.80 KEAP1 (0.39) L3MBTL1SREBF2CYP1A2CYP2C19KDM4E
SCHEMBL7666933 0.77 CYP11B1 (0.42) SREBF2FEN1CYP1A2CYP2C19KDM4E
SCHEMBL7667019 0.76 TRPA1 (0.41) L3MBTL1SREBF2ALOX5APFEN1ALDH1A1
SCHEMBL7664372 0.74 PLAU (0.41) L3MBTL1CYP1A2CYP2C19LMNANPSR1
SCHEMBL7666947 0.73 FEN1 (0.38) L3MBTL1ALOX5APFEN1NPSR1MAPT
SCHEMBL7664066 0.72 BCL2L2 (0.37) L3MBTL1SREBF2ALOX5APFEN1NPSR1
SCHEMBL7664751 0.72 HTR2A (0.40) L3MBTL1ALOX5APFEN1ALOX15
SCHEMBL15060604 0.70 CYP1A2 (0.45) L3MBTL1PDCD1CD274ALOX5APFEN1
SCHEMBL10462078 0.70 PDE5A (0.41) SREBF2ALOX5APFEN1

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
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