SCHEMBL7838459

SCHEMBL7838459

COc1c(O)c(CN(C)C)c2c(C(=O)OCc3ccccc3)c(C)[nH]c2c1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 5/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MAPK1 P28482 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ 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
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ MLNR O43193 1/20 0.37
▸ NR1I2 O75469 1/20 0.37

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 0.84 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7832442 0.84 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7822288 0.81 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7823161 0.79 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7838438 0.79 RAB9A (0.43) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7832142 0.78 RAB9A (0.47) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7824065 0.78 KMT2A (0.48) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL6317736 0.77 NPSR1 (0.49) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7823354 0.75 ALOX5 (0.56) RAB9AKMT2ANPC1MAPK1SMN1; SMN2
SCHEMBL7823160 0.69 KMT2A (0.53) 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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