SCHEMBL4031103

SCHEMBL4031103

O=C(O)CN(C(=O)C(=O)c1c[nH]c2cccc(F)c12)C(C(=O)NC1CCCCC1)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
C3AR1 Q16581 2/20 0.37
KMT2A Q03164 5/20 0.37
HDAC1 Q13547 2/20 0.35
HDAC6 Q9UBN7 2/20 0.35
MEN1 O00255 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
ALB P02768 1/20 0.35
IL2 P60568 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL3943591 0.87 RAB9A (0.39) RAB9ANPC1HDAC1ALDH1A1KDM4E
SCHEMBL3943911 0.86 RAB9A (0.40) RAB9ANPC1C3AR1KMT2AHDAC1
SCHEMBL3942490 0.85 RAB9A (0.58) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL4197663 0.85 RAB9A (0.58) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL3943978 0.85 RAB9A (0.58) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL3941454 0.85 RAB9A (0.58) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL3944015 0.85 RAB9A (0.58) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL3945898 0.82 ALDH1A1 (0.51) RAB9ANPC1KMT2AALDH1A1KDM4E
SCHEMBL3943464 0.82 ALDH1A1 (0.44) RAB9ANPC1KMT2AHDAC1HDAC6
SCHEMBL3945345 0.81 ALDH1A1 (0.42) RAB9ANPC1KMT2AHDAC1HDAC6

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