SCHEMBL6264474

SCHEMBL6264474

O=C(CCl)Nc1ccc(Br)cc1C(O)Cc1ccccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
ALDH1A1 P00352 5/20 0.46
HPGD P15428 1/20 0.46
CYP3A4 P08684 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 1/20 0.43
PTPRA P18433 1/20 0.41
KMT2A Q03164 3/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
GRM5 P41594 1/20 0.39
PTGFR P43088 1/20 0.38
HDAC6 Q9UBN7 4/20 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
SCHEMBL6271786 0.83 NPC1 (0.45) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL6264477 0.78 GRM5 (0.45) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL6264555 0.76 MEN1 (0.42) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL6271501 0.75 POLB (0.44) RAB9ANPC1ALDH1A1KDM4EMAPT
SCHEMBL6268310 0.74 PTPRA (0.43) RAB9ANPC1ALDH1A1CYP3A4KDM4E
SCHEMBL3981602 0.74 ALDH1A1 (0.48) RAB9ANPC1ALDH1A1HPGDKDM4E
SCHEMBL6271790 0.71 ALDH1A1 (0.40) RAB9ANPC1ALDH1A1HPGDCYP3A4
SCHEMBL6267239 0.70 CA1 (0.43) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL6270554 0.70 MEN1 (0.40) RAB9ANPC1ALDH1A1HPGDMAPT
SCHEMBL6266974 0.70 ALDH1A1 (0.46) RAB9ANPC1ALDH1A1HPGDKDM4E

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-2005095366-A1 7-ARYL 1,5-DIHYDRO-4,1-BENZOXAZEPIN-2(3H)-ONE DERIVATIVES AND THEIR USE AS PROGESTERONE RECEPTOR MODULATORS WYETH (US) 2005-10-13 WO disclosed