SCHEMBL7832442

SCHEMBL7832442

Cc1[nH]c2c(Cl)c(Cl)c(O)c(CN(C)C)c2c1C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ NPC1 O15118 2/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPSR1 Q6W5P4 2/20 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
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ ALOX5 P09917 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ HPGD P15428 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL7824638 0.85 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7838459 0.84 RAB9A (0.46) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7824065 0.82 KMT2A (0.48) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7822288 0.82 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7823161 0.80 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7832142 0.79 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL6317736 0.78 NPSR1 (0.49) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7835270 0.75 ALOX5 (0.57) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7835107 0.72 TSHR (0.46) RAB9AKMT2ANPC1SMN1; SMN2NPSR1
SCHEMBL7838438 0.71 RAB9A (0.43) RAB9AKMT2ANPC1MAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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