SCHEMBL20714852

SCHEMBL20714852

Cc1cc(NCCNS)ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 2/20 0.45
ALDH1A1 P00352 5/20 0.42
HTT P42858 2/20 0.42
MAPT P10636 6/20 0.42
ABL1 P00519 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 1/20 0.39
RAPGEF4 Q8WZA2 2/20 0.37
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
GRIN1 Q05586 1/20 0.36
KCNH2 Q12809 1/20 0.36
GRIN2B Q13224 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ATM Q13315 1/20 0.36

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
SCHEMBL20714819 0.82 MAPT (0.50) ICMTHTTMAPTABL1CYP3A4
SCHEMBL18263394 0.82 STK17A (0.50) ICMTALDH1A1HTTMAPTABL1
SCHEMBL10779665 0.81 ALDH1A1 (0.54) ICMTALDH1A1HTTMAPTABL1
SCHEMBL20714654 0.79 RAPGEF4 (0.45) ICMTALDH1A1MAPTABL1CYP1A2
SCHEMBL20714856 0.79 MAPT (0.43) ALDH1A1HTTMAPTCYP1A2CYP3A4
SCHEMBL1800169 0.79 ALDH1A1 (0.46) ICMTALDH1A1HTTMAPTABL1
SCHEMBL9782316 0.78 NPC1 (0.42) ICMTALDH1A1HTTMAPTABL1
SCHEMBL20714815 0.78 ABL1 (0.61) ALDH1A1HTTMAPTABL1CYP1A2
SCHEMBL20714669 0.77 MAPT (0.43) ALDH1A1MAPTABL1CYP3A4CYP2C9
SCHEMBL18300960 0.76 RAPGEF4 (0.40) ICMTALDH1A1HTTMAPTABL1

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