SCHEMBL5593473

SCHEMBL5593473

Cc1ccc(N)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.66
NPC1 O15118 5/20 0.66
SMN1; SMN2 Q16637 5/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
HPGD P15428 5/20 0.50
ALDH1A1 P00352 5/20 0.50
TP53 P04637 1/20 0.50
ATM Q13315 1/20 0.50
KMT2A Q03164 2/20 0.49
MCL1 Q07820 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 3/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
TSHR P16473 1/20 0.47
HIF1A Q16665 1/20 0.47
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
KDM4E B2RXH2 1/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL14473326 0.81 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL14473018 0.80 RAB9A (0.50) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL5616693 0.79 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL17874024 0.78 RAB9A (0.80) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5593407 0.77 RAB9A (0.54) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL5603883 0.77 RAB9A (0.57) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL5603888 0.76 RAB9A (0.57) RAB9ANPC1SMN1; SMN2HPGDALDH1A1
SCHEMBL4541476 0.76 RAB9A (0.49) RAB9ANPC1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL4551381 0.76 RAB9A (0.53) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD
SCHEMBL4412422 0.76 RAB9A (0.51) RAB9ANPC1SMN1; SMN2L3MBTL1HPGD

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-2007075896-A2 HETEROCYCLIC CYTOKINE INHIBITORS KEMIA, INC. (US) 2007-07-05 WO disclosed