SCHEMBL4032664

SCHEMBL4032664

Cc1ccc2c(C(=O)C(=O)N(CC(=O)O)C(C(=O)NC3CCCCC3)C3CCCCC3)c[nH]c2c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
NR4A2 P43354 1/20 0.40
POLB P06746 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 5/20 0.39
TP53 P04637 4/20 0.39
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SOS1 Q07889 1/20 0.37
ADORA2A P29274 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
BACE1 P56817 1/20 0.35
MDM2 Q00987 1/20 0.35
HAT1 O14929 1/20 0.35
EP300 Q09472 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL4357051 0.90 RAB9A (0.43) RAB9ANPC1LMNAMAPTTP53
SCHEMBL3949749 0.90 RAB9A (0.41) RAB9ANPC1POLBLMNAMAPT
SCHEMBL3938881 0.90 RAB9A (0.42) RAB9ANPC1LMNAMAPTTP53
SCHEMBL3942177 0.90 MDM2 (0.43) RAB9ANPC1NR4A2SOS1MDM2
SCHEMBL3943464 0.90 ALDH1A1 (0.44) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL3941764 0.89 MAPT (0.52) RAB9ANPC1LMNAMAPTTP53
SCHEMBL3944471 0.89 MAPT (0.52) RAB9ANPC1LMNAMAPTTP53
SCHEMBL3941856 0.89 MAPT (0.52) RAB9ANPC1LMNAMAPTTP53
SCHEMBL4033069 0.89 RAB9A (0.41) RAB9ANPC1HAT1EP300
SCHEMBL3943996 0.89 MAPT (0.52) RAB9ANPC1LMNAMAPTTP53

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-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO claimed
WO-2009019508-A1 CALCIUM ION CHANNEL MODULATORS & USES THEREOF LECTUS THERAPEUTICS LIMITED (GB) 2009-02-12 WO disclosed