SCHEMBL16696385

SCHEMBL16696385

CCCCOC(=O)Nc1ccc2c(cnn2C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 11/20 0.53
▸ NPC1 O15118 10/20 0.53
▸ SMN1; SMN2 Q16637 8/20 0.53
▸ HPGD P15428 7/20 0.53
▸ CYP1A2 P05177 3/20 0.53
▸ CYP2C9 P11712 3/20 0.53
▸ CYP2C19 P33261 3/20 0.53
▸ NOTUM Q6P988 1/20 0.53
▸ LMNA P02545 1/20 0.51
▸ ALDH1A1 P00352 5/20 0.50
▸ MAPT P10636 5/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ CASP1 P29466 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ MCL1 Q07820 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ KMT2A Q03164 2/20 0.49
▸ GLA P06280 1/20 0.49
▸ ALOX12 P18054 1/20 0.49
▸ MAOB P27338 3/20 0.48

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
SCHEMBL28478883 0.92 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL29522725 0.92 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL31510405 0.84 HPGD (0.50) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL13387474 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL5339818 0.80 NOTUM (0.57) RAB9ANPC1SMN1; SMN2HPGDNOTUM
SCHEMBL31036105 0.79 NOTUM (0.61) RAB9ANPC1SMN1; SMN2HPGDNOTUM
SCHEMBL29522898 0.79 ALDH1A1 (0.50) RAB9ANPC1HPGDCYP1A2CYP2C9
SCHEMBL28490404 0.79 ALDH1A1 (0.50) RAB9ANPC1HPGDCYP1A2CYP2C9
SCHEMBL16406932 0.78 NOTUM (0.54) RAB9ANPC1HPGDNOTUMALDH1A1
SCHEMBL16686040 0.76 NPC1 (0.63) RAB9ANPC1HPGDCYP1A2NOTUM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015066413-A1 OXAZOLIDINONE HYDROXAMIC ACID COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS NOVARTIS AG (CH) 2015-05-07 — — WO disclosed
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