SCHEMBL7670809

SCHEMBL7670809

Cc1ccc(Oc2c(Cl)cccc2Cl)c(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR4 O95977 5/20 0.40
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GRM5 P41594 1/20 0.36
BDKRB2 P30411 1/20 0.35
RARG P13631 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
HTR1A P08908 2/20 0.34
SLC6A2 P23975 2/20 0.34
HSP90AA1 P07900 1/20 0.34
CAMK2A Q9UQM7 1/20 0.34
MAPT P10636 2/20 0.33
NR4A2 P43354 1/20 0.33
CCR1 P32246 1/20 0.33
CCR8 P51685 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL7667376 0.79 L3MBTL1 (0.39) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL7664278 0.76 CYP1A2 (0.46) KDM4ECYP1A2CYP2C19NPSR1L3MBTL1
SCHEMBL7673688 0.75 ESRRA (0.46) KDM4ELMNACYP1A2NPSR1L3MBTL1
SCHEMBL10868317 0.74 GRM5 (0.41) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL7663772 0.74 S1PR4 (0.56) S1PR4LMNAHPGDSLC6A2HSP90AA1
SCHEMBL7672764 0.73 HTR2A (0.46) S1PR4KDM4ECYP1A2CYP2C19NPSR1
SCHEMBL7226169 0.72 ALDH1A1 (0.42) S1PR4KDM4ECYP1A2CYP2C19NPSR1
SCHEMBL1182171 0.71 ALDH1A1 (0.39) KDM4ELMNACYP1A2CYP2C19NPSR1
SCHEMBL7667163 0.71 ALDH1A1 (0.47) S1PR4KDM4ELMNANPSR1L3MBTL1
SCHEMBL7668427 0.71 ADORA2A (0.42) S1PR4CYP2C19GRM5

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