SCHEMBL7875656

SCHEMBL7875656

Cc1ccc(Sn2cnc(CCNC(=O)OC(C)(C)C)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
ALDH1A1 P00352 3/20 0.39
POLB P06746 1/20 0.39
HTT P42858 1/20 0.38
GFER P55789 1/20 0.38
METTL3 Q86U44 1/20 0.37
LMNA P02545 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
BCHE P06276 1/20 0.36
NQO2 P16083 1/20 0.36
NAMPT P43490 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
BRD4 O60885 2/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL2084230 0.76 ALDH1A1 (0.48) TDP1ALDH1A1HTTGFERNPSR1
SCHEMBL5450093 0.74 ALDH1A1 (0.43) MAPTTDP1ALDH1A1POLBHTT
SCHEMBL28861530 0.74 CPB2 (0.45) TDP1ALDH1A1HTTGFERLMNA
SCHEMBL10178111 0.74 TDP1 (0.48) MAPTTDP1CCNCCDK8ALDH1A1
SCHEMBL12283041 0.71 NPC1 (0.60) MAPTTDP1POLBNQO2NAMPT
SCHEMBL2328448 0.71 ALDH1A1 (0.44) TDP1ALDH1A1HTTGFERNPSR1
SCHEMBL24465228 0.70 TDP1 (0.45) MAPTTDP1CCNCCDK8ALDH1A1
SCHEMBL2687010 0.70 ALDH1A1 (0.40) MAPTTDP1ALDH1A1POLBHTT
SCHEMBL18433128 0.69 CA1 (0.48) MAPTTDP1CCNCCDK8ALDH1A1
Acetic Acid SCHEMBL8528143 0.68 NPC1 (0.56) MAPTTDP1NAMPTHPGDCA1

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-2001056358-A2 ENHANCED PROPERTIED PESTICIDES ROHM AND HAAS COMPANY (US) 2001-08-09 WO disclosed