SCHEMBL5603883

SCHEMBL5603883

Cc1ccc(Nc2cccc(-c3ccccn3)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
NPC1 O15118 5/20 0.57
POLB P06746 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 6/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 2/20 0.45
KDM4E B2RXH2 3/20 0.44
GAA P10253 1/20 0.44
TP53 P04637 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5603888 0.92 RAB9A (0.57) RAB9ANPC1POLBMAPTHPGD
SCHEMBL5593473 0.77 RAB9A (0.66) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL5593407 0.77 RAB9A (0.54) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL5616693 0.77 RAB9A (0.54) RAB9ANPC1POLBHPGDSMN1; SMN2
SCHEMBL17874024 0.76 RAB9A (0.80) RAB9ANPC1POLBMAPTHPGD
SCHEMBL5604188 0.74 RAB9A (0.52) RAB9ANPC1HPGDSMN1; SMN2LMNA
SCHEMBL4551381 0.74 RAB9A (0.53) RAB9ANPC1POLBMAPTHPGD
SCHEMBL4541476 0.74 RAB9A (0.49) RAB9ANPC1POLBSMN1; SMN2ALDH1A1
SCHEMBL26035489 0.73 ATM (0.55) RAB9ANPC1POLBMAPTHPGD
SCHEMBL5603893 0.72 RAB9A (0.46) RAB9ANPC1POLBHPGDSMN1; 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 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