SCHEMBL7035336

SCHEMBL7035336

NC(=O)c1ccc(C(=O)N=C2CCCCCCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.44
PARP10 Q53GL7 6/20 0.41
PARP4 Q9UKK3 2/20 0.41
PARP1 P09874 2/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PARP15 Q460N3 2/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 1/20 0.39
OGG1 O15527 1/20 0.39
PLA2G10 O15496 1/20 0.39
PLA2G2A P14555 1/20 0.39
NOS1 P29475 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
Terephthalamide SCHEMBL197479 0.77 PARP1 (0.60) F2PARP10PARP4PARP1CA2
Terephthalamide SCHEMBL472214 0.77 PARP1 (0.60) F2PARP10PARP4PARP1CA2
Terephthalamide SCHEMBL12613686 0.77 PARP1 (0.60) F2PARP10PARP4PARP1CA2
Terephthalamide SCHEMBL4131585 0.75 PARP1 (0.57) F2PARP10PARP4PARP1CA2
Cyclohexane SCHEMBL10592083 0.75 PARP10 (0.43) F2PARP10PARP4PARP1CA2
Terephthalamide SCHEMBL23774 0.69 PARP1 (0.71) PARP10PARP4PARP1CA2CA1
SCHEMBL25338154 0.69 PARP10 (0.65) PARP10PARP4PARP1CA2CA1
Hydrochloric Acid SCHEMBL27524373 0.69 TSHR (0.42) KDM4EALDH1A1KMT2AOGG1POLB
SCHEMBL2124392 0.67 PARP10 (0.48) PARP10PARP4PARP1CA2CA1
Terephthalamide SCHEMBL11512422 0.67 PARP1 (0.67) PARP10PARP4PARP1CA2CA1

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-6794463-B2 Block copolymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2004-09-21 US disclosed
US-20030171494-A1 Block copolymer ASAHI KASEI KABUSHIKI KAISHA (JP) 2003-09-11 US disclosed