SCHEMBL4058495

SCHEMBL4058495

Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.61
NPC1 O15118 3/20 0.61
PKM P14618 2/20 0.61
MAPK1 P28482 2/20 0.61
TP53 P04637 1/20 0.61
MAPT P10636 11/20 0.58
ATM Q13315 1/20 0.58
ALDH1A1 P00352 4/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
GAA P10253 1/20 0.57
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
LMNA P02545 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.54
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.53
THRB P10828 1/20 0.51
RARA P10276 1/20 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
SCHEMBL3526172 0.90 SETD2 (0.57) RAB9ANPC1SMN1; SMN2
SCHEMBL13907634 0.86 RAB9A (0.54) RAB9ANPC1PKMMAPK1TP53
SCHEMBL5108972 0.82 ALDH1A1 (0.61) NPC1PKMMAPTALDH1A1KMT2A
SCHEMBL3228174 0.82 CXCR2 (0.55) RAB9ANPC1TP53MAPTATM
SCHEMBL21911828 0.82 NPC1 (0.50) RAB9ANPC1PKMTP53MAPT
SCHEMBL4058489 0.81 MAPT (0.49) RAB9ANPC1MAPK1TP53MAPT
SCHEMBL13907637 0.80 RAB9A (0.69) RAB9ANPC1PKMMAPK1TP53
SCHEMBL3959381 0.80 RAB9A (0.69) RAB9ANPC1PKMMAPK1TP53
SCHEMBL16566639 0.79 THRB (0.51) RAB9ANPC1MAPTMEN1KMT2A
SCHEMBL2352480 0.78 PKM (0.70) RAB9ANPC1PKMMAPK1TP53

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-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 WO disclosed
WO-2009034390-A1 HETEROCYCLIC DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2009-03-19 WO disclosed