SCHEMBL5368294

SCHEMBL5368294

CC(Cc1ccco1)C(=O)NN

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
KMT2A Q03164 4/20 0.44
GAA P10253 3/20 0.44
HPGD P15428 4/20 0.43
USP2 O75604 2/20 0.43
EIF4H Q15056 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ALDH1A1 P00352 7/20 0.43
MAPT P10636 2/20 0.42
ALOX5 P09917 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL13732368 0.81 ALOX5 (0.49) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL16683909 0.80 ALDH1A1 (0.47) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL762539 0.80 ALDH1A1 (0.47) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL16683911 0.80 ALDH1A1 (0.47) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL18640588 0.78 ALDH1A1 (0.46) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL7355153 0.74 RAB9A (0.43) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL31561618 0.74 NPC1 (0.46) POLBCTDSP1RAB9ANPC1KMT2A
SCHEMBL24479790 0.74 RAB9A (0.48) POLBRAB9ANPC1KMT2AGAA
SCHEMBL1975525 0.74 ALDH1A1 (0.53) POLBRAB9ANPC1GAAHPGD
SCHEMBL4418028 0.73 ALOX5 (0.49) POLBRAB9ANPC1KMT2AGAA

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-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO claimed
WO-2007047394-A2 THIOTRIAZOLYL DERIVATIVES EPIX DELAWARE, INC. (US) 2007-04-26 WO disclosed