SCHEMBL8901675

SCHEMBL8901675

CCCN(O)C(=O)Nc1ccccc1C

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.56
CA9 Q16790 1/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HPGD P15428 5/20 0.53
ALDH1A1 P00352 2/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
ALOX12 P18054 1/20 0.50
PGR P06401 1/20 0.50
SCN1A P35498 1/20 0.50
SCN2A Q99250 1/20 0.50
SCN3A Q9NY46 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
ITGB3 P05106 1/20 0.47

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
SCHEMBL11136745 0.81 MEN1 (0.59) CA12CA9RAB9ANPC1HPGD
SCHEMBL234520 0.79 RAB9A (0.58) RAB9ANPC1HPGDALDH1A1ALOX12
SCHEMBL7615716 0.79 MEN1 (0.56) CA12CA9RAB9ANPC1HPGD
SCHEMBL13911259 0.79 KMT2A (0.63) CA12CA9RAB9ANPC1HPGD
SCHEMBL13900736 0.79 L3MBTL1 (0.50) CA12CA9RAB9ANPC1HPGD
SCHEMBL29052342 0.78 MEN1 (0.53) CA12CA9RAB9ANPC1HPGD
SCHEMBL8898473 0.78 MAPT (0.42) CA12CA9ALDH1A1MEN1KMT2A
SCHEMBL13930306 0.78 RAB9A (0.56) RAB9ANPC1HPGDALDH1A1ALOX12
SCHEMBL5814278 0.77 NPC1 (0.64) RAB9ANPC1HPGDALDH1A1KMT2A
SCHEMBL8217293 0.77 GUSB (0.56) RAB9ANPC1HPGDALDH1A1L3MBTL1

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
EP-0777471-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-06-11 EP disclosed
WO-1996003983-A1 INHIBITION OF LEUKOTRIENE BIOSYNTHESIS WITH UREA DERIVATIVES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-02-15 WO disclosed