SCHEMBL8496243

SCHEMBL8496243

NCC(=O)NCCOOCCNC(=O)CN

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.41
CA1 P00915 2/20 0.38
TSHR P16473 1/20 0.34
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
RECQL P46063 1/20 0.32
MMP2 P08253 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
LMNA P02545 1/20 0.31
PKM P14618 1/20 0.31
AOC3 Q16853 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31

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
SCHEMBL8496240 0.91 CA2 (0.40) CA2CA1TSHRNPC1USP2
SCHEMBL9795107 0.81 CA2 (0.40) CA2CA1TSHRNPC1USP2
SCHEMBL2792535 0.81
SCHEMBL3074874 0.81 CA2 (0.44) CA2CA1ALDH1A1MEN1KMT2A
SCHEMBL6037070 0.79 CA2 (0.39) CA2CA1TSHRNPC1SMN1; SMN2
SCHEMBL28969877 0.79 CHRM2 (0.39) CA2CA1TSHRNPC1USP2
SCHEMBL20472109 0.79 TERT (0.35) CA2CA1
Hydrochloric Acid SCHEMBL25328852 0.78 CA2 (0.38) CA2CA1TSHRALDH1A1TDP1
SCHEMBL14222831 0.78 CA2 (0.44) CA2TSHRALDH1A1MEN1KMT2A
SCHEMBL20244904 0.78 CA2 (0.48) CA2CA1TSHRALDH1A1MEN1

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
US-5914313-A ANTIBIOTICS MERCK & CO., INC. (US) 1999-06-22 US disclosed