SCHEMBL3250296

SCHEMBL3250296

COC(=O)CCNCc1nc2ccccc2s1

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.53
ALDH1A1 P00352 4/20 0.53
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
POLB P06746 2/20 0.53
HTT P42858 3/20 0.53
PKM P14618 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP2C19 P33261 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
HPGD P15428 3/20 0.49
MAPK1 P28482 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
KDM4E B2RXH2 1/20 0.48
GAA P10253 1/20 0.48
RAB9A P51151 1/20 0.48

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
SCHEMBL13539033 0.85 SMN1; SMN2 (0.63) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL18256154 0.83 MAPT (0.72) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL5256099 0.81 SMN1; SMN2 (0.70) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL4028624 0.80 MAPT (0.62) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL6642379 0.80 HTT (0.64) MAPTALDH1A1KMT2AMEN1POLB
Bromide SCHEMBL6428429 0.79 MAPT (0.60) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL3005360 0.78 UBE2T (0.63) MAPTALDH1A1KMT2AMEN1HTT
SCHEMBL3255804 0.77 BCHE (0.50) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL3129362 0.76 UBE2T (0.50) MAPTALDH1A1KMT2AMEN1POLB
SCHEMBL3125957 0.76 SMN1; SMN2 (0.62) ALDH1A1KMT2AMEN1POLBHTT

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-2010001220-A1 NEW 1,2,4-TRIAZINE DERIVATIVES AND BIOLOGICAL APPLICATIONS THEREOF MUTABILIS SA (FR) 2010-01-07 WO disclosed
EP-2141164-A1 New 1,2,4-triazine derivatives and biological applications thereof Mutabilis (FR) 2010-01-06 EP disclosed