SCHEMBL14156263

SCHEMBL14156263

c1ccc(ON2CCc3ccccc32)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.46
RAB9A P51151 4/20 0.46
MAPT P10636 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 5/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
USP2 O75604 1/20 0.46
CDK4 P11802 1/20 0.46
ALOX15 P16050 1/20 0.46
CCND1 P24385 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
TP53 P04637 2/20 0.42
PKM P14618 1/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
HPGD P15428 1/20 0.42
NOTUM Q6P988 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.40

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
SCHEMBL9132803 0.79 ALDH1A1 (0.52) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL1408706 0.76 ALDH1A1 (0.48) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL4685687 0.76 ALDH1A1 (0.48) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL8473466 0.74 ALOX12 (0.41) SMN1; SMN2RAB9ANPC1ALDH1A1MEN1
SCHEMBL3899031 0.73 ALDH1A1 (0.46) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL14156321 0.73 NPC1 (0.54) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL14156335 0.73 CYP1A2 (0.49) SMN1; SMN2ALDH1A1MEN1KMT2AUSP2
SCHEMBL4472565 0.72 ALDH1A1 (0.44) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL12683737 0.72 ALDH1A1 (0.49) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1
SCHEMBL21798510 0.70 NOTUM (0.50) SMN1; SMN2RAB9AMAPTNPC1ALDH1A1

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
US-7381734-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2008-06-03 US disclosed
US-7157585-B2 Serine protease inhibitors TULARIK LIMITED (GB) 2007-01-02 US disclosed