SCHEMBL7824065

SCHEMBL7824065

Cc1[nH]c2cc(Cl)c(O)c(CN(C)C)c2c1C(=O)OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.48
▸ RAB9A P51151 5/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.42
▸ GAA P10253 3/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ GLA P06280 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CASP1 P29466 1/20 0.42
▸ CASP7 P55210 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ATM Q13315 1/20 0.42

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
SCHEMBL7823161 0.90 RAB9A (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7832142 0.89 RAB9A (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL6317736 0.83 NPSR1 (0.49) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7832442 0.82 RAB9A (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7833693 0.78 MAPT (0.52) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7824638 0.78 RAB9A (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7838459 0.78 RAB9A (0.46) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7822288 0.77 RAB9A (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2
SCHEMBL7835107 0.77 TSHR (0.46) KMT2ARAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL7835009 0.76 TSHR (0.47) KMT2ARAB9ANPC1MAPK1SMN1; SMN2

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
CN-1344270-A Functionalized heterocycles as chemokine receptor modulators THOUSAND YEARS MEDICAMENTS INC (US) 2002-04-10 — — CN disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 — — EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 — — WO disclosed
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