SCHEMBL3945345

SCHEMBL3945345

O=C(O)CN(C(=O)C(=O)c1c[nH]c2cc(F)ccc12)[C@@H](C(=O)NC1CC1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
SMYD3 Q9H7B4 1/20 0.37
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MAPK14 Q16539 2/20 0.35
TDO2 P48775 1/20 0.35
CNR2 P34972 1/20 0.35
SOS1 Q07889 1/20 0.34
ATM Q13315 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33

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
SCHEMBL3943464 0.98 ALDH1A1 (0.44) ALDH1A1KMT2ARAB9ANPC1SMYD3
SCHEMBL3945898 0.91 ALDH1A1 (0.51) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL3943864 0.90 ALDH1A1 (0.38) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL3944227 0.89 DGAT1 (0.40) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL4357051 0.89 RAB9A (0.43) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL3938881 0.88 RAB9A (0.42) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL3942177 0.88 MDM2 (0.43) RAB9ANPC1SOS1
SCHEMBL4032664 0.88 RAB9A (0.42) ALDH1A1RAB9ANPC1MAPTL3MBTL1
SCHEMBL4542623 0.87 MAPT (0.52) ALDH1A1KMT2ARAB9ANPC1MAPT
SCHEMBL3939702 0.87 RAB9A (0.42) ALDH1A1KMT2ARAB9ANPC1MAPT

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