SCHEMBL5593407

SCHEMBL5593407

Cc1ccc(NC(=O)c2cccc(CC(C)C)c2)cc1-c1cc(C(=O)NCC2CCCO2)on1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.54
NPC1 O15118 3/20 0.54
ATM Q13315 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
POLB P06746 2/20 0.50
HPGD P15428 5/20 0.49
ROCK2 O75116 2/20 0.48
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.45
GAA P10253 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL5616693 0.89 RAB9A (0.54) RAB9ANPC1ATMSMN1; SMN2POLB
SCHEMBL5603888 0.85 RAB9A (0.57) RAB9ANPC1ATMSMN1; SMN2POLB
SCHEMBL14473326 0.79 RAB9A (0.51) RAB9ANPC1ATMSMN1; SMN2POLB
SCHEMBL4412422 0.79 RAB9A (0.51) RAB9ANPC1ATMSMN1; SMN2POLB
SCHEMBL5593266 0.78 RAB9A (0.50) RAB9ANPC1
SCHEMBL14473018 0.78 RAB9A (0.50) RAB9ANPC1ATMSMN1; SMN2POLB
SCHEMBL4420730 0.78 RAB9A (0.50) RAB9ANPC1ATMSMN1; SMN2POLB
SCHEMBL5592981 0.77 RAF1 (0.54) RAB9ANPC1
SCHEMBL5593020 0.77 RAB9A (0.49) RAB9ANPC1ATMSMN1; SMN2HPGD
SCHEMBL5592999 0.77 RAB9A (0.47) RAB9ANPC1ATMSMN1; SMN2POLB

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

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