SCHEMBL16696402

SCHEMBL16696402

CCCCOC(=O)Nc1ccc(Br)c(F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.59
NPC1 O15118 9/20 0.59
SMN1; SMN2 Q16637 9/20 0.59
HPGD P15428 7/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C9 P11712 2/20 0.59
CYP2C19 P33261 2/20 0.59
LMNA P02545 1/20 0.56
MAPT P10636 3/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.56
CASP1 P29466 1/20 0.56
MAPK1 P28482 1/20 0.56
MCL1 Q07820 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
CASP3 P42574 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
KMT2A Q03164 3/20 0.50

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
SCHEMBL28120947 0.86 RAB9A (0.55) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696399 0.85 RAB9A (0.67) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL29666364 0.84 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL16696408 0.84 RAB9A (0.74) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7595757 0.82 ESR1 (0.60) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL31717822 0.81 RAB9A (0.59) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL7564852 0.81 RAB9A (0.79) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL4342053 0.80 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL13387474 0.80 RAB9A (0.68) RAB9ANPC1SMN1; SMN2HPGDCYP1A2
SCHEMBL1690744 0.80 FAAH (0.69) RAB9ANPC1SMN1; SMN2HPGDCYP1A2

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