SCHEMBL13536655

SCHEMBL13536655

CC(C)(C)c1nc(N)sc1C(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 8/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 3/20 0.46
DUSP3 P51452 1/20 0.46
CCNA2 P20248 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 3/20 0.44
CDK5R1 Q15078 3/20 0.44
TP53 P04637 2/20 0.42
LMNA P02545 2/20 0.41
USP2 O75604 1/20 0.41
MCL1 Q07820 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LTA4H P09960 1/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL2315805 0.90 NPC1 (0.45) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL2315072 0.87 CCNA2 (0.46) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL2315038 0.79 CCNA2 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL2314406 0.77 MAPT (0.49) HPGDALDH1A1MAPTKMT2ANPC1
SCHEMBL2315809 0.74 NPC1 (0.43) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL8694581 0.73 CCNA2 (0.47) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL3185793 0.73 DRD4 (0.47) ALDH1A1MAPTMEN1KMT2ANPC1
SCHEMBL8699740 0.73 CHRM4 (0.42) HPGDALDH1A1MAPTMEN1KMT2A
SCHEMBL330389 0.72 ALDH1A1 (0.59) HPGDALDH1A1MAPTKMT2ANPC1
SCHEMBL8698915 0.70 KDM4E (0.47) HPGDALDH1A1MAPTMEN1KMT2A

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
WO-2010007046-A2 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-01-21 WO disclosed