SCHEMBL20366256

SCHEMBL20366256

NCC[C@H](N)C(=O)NCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.55
POLB P06746 1/20 0.54
CA12 O43570 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
DPP7 Q9UHL4 1/20 0.51
KMT2A Q03164 2/20 0.50
EPHX1 P07099 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
RRM1 P23921 1/20 0.50
KCNH2 Q12809 1/20 0.49

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
SCHEMBL14444028 0.92 POLB (0.55) MMP2POLBCA12CA2CA9
SCHEMBL30889119 0.91 MMP2 (0.67) MMP2POLBKMT2ACYP2D6CYP2C9
SCHEMBL16965176 0.86 POLB (0.52) MMP2POLBCA12CA2CA9
SCHEMBL30120748 0.85 MMP2 (0.56) MMP2KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL3583374 0.85 MMP2 (0.56) MMP2KMT2ACYP2D6CYP2C9CYP2C19
SCHEMBL8054823 0.85 POLB (0.55) MMP2POLBCA12CA2CA9
SCHEMBL14861105 0.85 CA12 (0.61) POLBCA12CA2KMT2A
SCHEMBL6961215 0.85 CA12 (0.61) POLBCA12CA2KMT2A
SCHEMBL19710389 0.85 POLB (0.55) MMP2POLBCA12CA2CA9
SCHEMBL13073331 0.85 CA12 (0.61) POLBCA12CA2KMT2A

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-2018128826-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF BACTERIAL INFECTIONS CIDARA THERAPEUTICS, INC. (US) 2018-07-12 WO disclosed