SCHEMBL9729290

SCHEMBL9729290

CN(C)CCCNC(=O)NCO

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 1/20 0.49
KDM4E B2RXH2 2/20 0.45
EPHX1 P07099 5/20 0.43
PAOX Q6QHF9 1/20 0.43
HPGD P15428 1/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
P2RX4 Q99571 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL36169 0.91 DNM1 (0.55) DNM1KDM4EEPHX1PAOXHPGD
Hydrochloric Acid SCHEMBL10730965 0.89 DNM1 (0.53) DNM1KDM4EEPHX1PAOXHPGD
SCHEMBL14559612 0.88 DNM1 (0.49) DNM1KDM4EEPHX1PAOXHPGD
SCHEMBL11149127 0.87 EPHX1 (0.58) DNM1KDM4EEPHX1PAOXHPGD
SCHEMBL12707843 0.85 DNM1 (0.50) DNM1KDM4EEPHX1PAOXHPGD
SCHEMBL60002 0.83 DNM1 (0.53) DNM1KDM4EEPHX1PAOXHPGD
SCHEMBL20972405 0.83 EPHX1 (0.63) DNM1KDM4EEPHX1
SCHEMBL24102742 0.83 DNM1 (0.52) DNM1KDM4EEPHX1PAOXHPGD
Hydrochloric Acid SCHEMBL218974 0.82 DNM1 (0.51) DNM1KDM4EEPHX1PAOXHPGD
Hydrochloric Acid SCHEMBL15878572 0.82 DNM1 (0.51) DNM1KDM4EEPHX1PAOXHPGD

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
US-5133779-A Cationic reaction products of basic carbamides and epihalohydrins: quaternary ammonium salts as dyeing aids for cellulose CIBA-GEIGY CORPORATION (US) 1992-07-28 US disclosed
US-5081294-A Quaternary ammonium salts to enhance color yield and wetfastness of dyeings/printings of cellulose fibers by an anionic dye (reactive or direct) CIBA-GEIGY CORPORATION (US) 1992-01-14 US disclosed