SCHEMBL6388679

SCHEMBL6388679

CCOc1ccc(C(N)C(N)=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 1/20 0.58
ALDH1A1 P00352 1/20 0.53
NQO1 P15559 1/20 0.50
PRSS1 P07477 1/20 0.49
PRSS2 P07478 1/20 0.49
PRSS3 P35030 1/20 0.49
ADRA2A P08913 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
TSHR P16473 2/20 0.47
ACACB O00763 2/20 0.47
CNR2 P34972 1/20 0.47
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
LMNA P02545 2/20 0.46
NPC1 O15118 1/20 0.46
PLK1 P53350 1/20 0.46
POLB P06746 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL20377832 0.86 AKR1C3 (0.54) PARP10ALDH1A1NQO1TDP1TSHR
SCHEMBL18725095 0.85 PARP10 (0.61) PARP10ALDH1A1NQO1PRSS1PRSS2
SCHEMBL10845631 0.83 MMP9 (0.64) TSHRLMNANPC1POLBMAPT
SCHEMBL11903485 0.82 FFAR1 (0.58) ALDH1A1TSHR
SCHEMBL4220063 0.81 MAPT (0.45) PARP10ACACBLMNAMAPT
SCHEMBL2879870 0.79 CA1 (0.53) PARP10MEN1CYP1A2KMT2A
SCHEMBL1354444 0.79 CA1 (0.53) PARP10MEN1CYP1A2KMT2A
SCHEMBL1115061 0.79 CA1 (0.53) PARP10MEN1CYP1A2KMT2A
SCHEMBL11080051 0.77 PARP10 (0.56) PARP10ALDH1A1NQO1PRSS1PRSS2
SCHEMBL20436808 0.77 NQO1 (0.64) PARP10ALDH1A1NQO1PRSS1PRSS2

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-6844366-B2 Sulfonamide hydroxamates SYNTEX (U.S.A.) LLC (US) 2005-01-18 US claimed