SCHEMBL9685562

SCHEMBL9685562

CC(CCN)c1ccc(C(N)=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 5/20 0.46
HSD17B10 Q99714 2/20 0.44
PARP1 P09874 3/20 0.43
PARP4 Q9UKK3 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39
PARP15 Q460N3 1/20 0.39
PARP14 Q460N5 1/20 0.39
PARP16 Q8N5Y8 1/20 0.39
PARP11 Q9NR21 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
MAPT P10636 1/20 0.39
TSHR P16473 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
SCHEMBL11474803 1.00 PARP10 (0.46) PARP10HSD17B10PARP1PARP4CA1
Hydrochloric Acid SCHEMBL11466948 0.98 PARP10 (0.44) PARP10HSD17B10PARP1PARP4CA1
SCHEMBL1250863 0.81 ALDH1A1 (0.50) PARP10HSD17B10PARP1PARP4CA1
SCHEMBL5616922 0.81 PARP10 (0.48) PARP10HSD17B10PARP1PARP4CA1
SCHEMBL11466438 0.81 PLK1 (0.47) CA2TSHR
SCHEMBL27642087 0.81 HSD17B10 (0.44) PARP10HSD17B10PARP1PARP4CA1
SCHEMBL20504349 0.81 LOXL2 (0.54) CA1CA2ALDH1A1KMT2ACYP3A4
SCHEMBL19464655 0.81 HSD17B10 (0.48) PARP10HSD17B10PARP1PARP4CA1
SCHEMBL14236756 0.79 PARP10 (0.47) PARP10HSD17B10PARP1PARP4CA1
SCHEMBL6370728 0.78 PARP10 (0.46) PARP10HSD17B10PARP1PARP4CA1

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-5166218-A Antilipemic agents or antiglycemic agents HOFFMANN-LA ROCHE INC. (US) 1992-11-24 US disclosed