SCHEMBL27712944

SCHEMBL27712944

CC(=O)Oc1cc(-c2ccccc2)sc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.56
ALDH1A1 P00352 5/20 0.56
HPGD P15428 5/20 0.56
GAA P10253 4/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ADORA1 P30542 2/20 0.55
IKBKB O14920 2/20 0.54
KDM4E B2RXH2 3/20 0.53
LMNA P02545 1/20 0.53
PKM P14618 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
ALOX15 P16050 8/20 0.52
HSD17B10 Q99714 3/20 0.52
RAB9A P51151 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TUBB4A P04350 2/20 0.50
TUBB P07437 2/20 0.50
TUBA3C P0DPH7 2/20 0.50
TUBA1B P68363 2/20 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
SCHEMBL5728563 0.85 MAPT (0.61) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL27712969 0.85 TUBB4A (0.52) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL5728267 0.81 ALDH1A1 (0.64) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL5728481 0.81 MAPT (0.50) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL9671338 0.76 MAPT (0.43) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL3792914 0.76 ADORA3 (0.54) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL15960089 0.76 GAA (0.75) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL9671119 0.75 BACE1 (0.54) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL27859886 0.74 GAA (0.50) MAPTALDH1A1HPGDGAAMEN1
SCHEMBL28813367 0.74 KDM4E (0.40) MAPTALDH1A1HPGDGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103958475-B Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases F. HOFFMANN-LA ROCHE AG (CH) 2015-11-25 CN disclosed
CN-103958521-A Pyrimidin-4-one derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 CN disclosed
CN-103958475-A Heteroaryl hydroxamic acid derivatives and their use in the treatment, alleviation or prevention of viral diseases HOFFMANN LA ROCHE 2014-07-30 CN disclosed
CN-101094845-A Substituted thiophenes AICURIS GMBH & CO KG (DE) 2007-12-26 CN disclosed