SCHEMBL19677015

SCHEMBL19677015

COCNCCCN(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.52
PAOX Q6QHF9 1/20 0.42
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
KDM4E B2RXH2 4/20 0.37
MEN1 O00255 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
PRMT3 O60678 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
PRMT1 Q99873 1/20 0.35
PRMT8 Q9NR22 1/20 0.35
TERT O14746 1/20 0.34
DNM1 Q05193 4/20 0.33
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL12296397 0.79 TDP1 (0.56) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL2863159 0.79 TDP1 (0.56) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL15859 0.79 TDP1 (0.75) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL26967080 0.76 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL5129514 0.76 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL5131831 0.76 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19ALDH1A1
Ammonia Solution, Strong SCHEMBL7104676 0.76 TDP1 (0.71) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL4909852 0.76 TDP1 (0.42) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL10912951 0.74 TDP1 (0.45) TDP1PAOXCYP2C9CYP2C19ALDH1A1
SCHEMBL28292955 0.74 TDP1 (0.45) TDP1PAOXCYP2C9CYP2C19ALDH1A1

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
EP-3656770-A2 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE-MEMBERED RING HETEROCYCLES Syngenta Participations AG (CH) 2020-05-27 EP disclosed
EP-3108955-B1 SELF-WETTING POROUS MEMBRANES PALL CORP (US) 2017-12-06 EP disclosed