SCHEMBL9749098

SCHEMBL9749098

CCCCCN(C(=O)Nc1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.69
KMT2A Q03164 1/20 0.69
USP2 O75604 1/20 0.61
HSD17B10 Q99714 1/20 0.61
NPC1 O15118 1/20 0.58
JAK2 O60674 1/20 0.58
RAB9A P51151 1/20 0.58
PAX8 Q06710 1/20 0.58
HDAC6 Q9UBN7 4/20 0.56
ICMT O60725 3/20 0.56
ALB P02768 3/20 0.56
ALDH1A1 P00352 3/20 0.54
ADRB2 P07550 1/20 0.54
NPSR1 Q6W5P4 1/20 0.51
HDAC1 Q13547 2/20 0.51
EPHX1 P07099 3/20 0.50
HTT P42858 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 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
SCHEMBL11506385 0.98 MEN1 (0.68) MEN1KMT2AUSP2HSD17B10NPC1
SCHEMBL9339208 0.84 NPC1 (0.61) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL31310431 0.83 NPC1 (0.64) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL25227336 0.83 NPC1 (0.60) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL9339113 0.83 NPC1 (0.64) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL10596306 0.83 CA12 (0.61) MEN1KMT2AHDAC6ICMTALB
SCHEMBL4304223 0.82 MEN1 (1.00) MEN1KMT2AUSP2HSD17B10NPC1
SCHEMBL28666105 0.82 NPC1 (0.62) NPC1JAK2RAB9APAX8HDAC6
SCHEMBL25277657 0.82 NPC1 (0.62) MEN1KMT2ANPC1JAK2RAB9A
SCHEMBL13952345 0.81 ICMT (0.58) MEN1KMT2AHDAC6ICMTALB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5126483-A Anticholesterol and antilipemic agents MITSUBISHI KASEI CORPORATION (JP) 1992-06-30 US disclosed