SCHEMBL20714769

SCHEMBL20714769

O=[N+]([O-])c1cc(NCCNS)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.50
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
HTT P42858 2/20 0.50
LMNA P02545 2/20 0.50
GAA P10253 1/20 0.50
VCAM1 P19320 6/20 0.49
ALDH1A1 P00352 3/20 0.46
P2RX1 P51575 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
POLB P06746 2/20 0.44
TNF P01375 1/20 0.43
NOD1 Q9Y239 1/20 0.43

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
SCHEMBL8335461 0.84 MEN1 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9502563 0.81 LMNA (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL11875109 0.79 MEN1 (0.51) MAPTMEN1KMT2AHTTLMNA
Hydrochloric Acid SCHEMBL11879055 0.77 MEN1 (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL26090819 0.77 MEN1 (0.49) MAPTMEN1KMT2AHTTLMNA
SCHEMBL20714819 0.76 MAPT (0.50) MAPTMEN1KMT2AHTTLMNA
SCHEMBL9820882 0.76 MEN1 (0.54) MAPTMEN1KMT2AHTTLMNA
SCHEMBL25244989 0.75 MEN1 (0.56) MAPTMEN1KMT2AHTTLMNA
SCHEMBL11876453 0.75 VCAM1 (0.58) MAPTMEN1KMT2AHTTLMNA
SCHEMBL31527808 0.74 MEN1 (0.52) MAPTMEN1KMT2AHTTLMNA

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