SCHEMBL20714770

SCHEMBL20714770

COc1ccc(NCCNS)cc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.50
MAPT P10636 7/20 0.49
ALDH1A1 P00352 6/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 1/20 0.48
GLA P06280 1/20 0.48
ACHE P22303 1/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
STK17B O94768 1/20 0.46
STK17A Q9UEE5 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL20714669 0.87 MAPT (0.43) GAAMAPTALDH1A1MEN1KMT2A
SCHEMBL20714747 0.84 MAPT (0.51) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL4573754 0.83 SUV39H2 (0.52) GAAMAPTALDH1A1MAPK1TDP1
Bromide SCHEMBL11012696 0.82 SUV39H2 (0.51) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL11935576 0.81 STK17B (0.57) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL20715032 0.81 MAPT (0.49) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL7863619 0.81 HTT (0.59) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL5301519 0.81 GAA (0.48) GAAMAPTALDH1A1MAPK1TDP1
SCHEMBL20715031 0.80 L3MBTL1 (0.50) GAAMAPTALDH1A1TDP1MEN1
SCHEMBL11013534 0.79 ALDH1A1 (0.55) GAAMAPTALDH1A1MEN1KMT2A

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-2019025153-A1 USE OF SUBSTITUTED N-SULFONYL-N'-ARYL DIAMINOALKANES AND N-SULFONYL-N'-HETEROARYL DIAMINOALKANES OR SALTS THEREOF FOR INCREASING THE STRESS TOLERANCE IN PLANTS BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-02-07 WO disclosed