SCHEMBL8959130

SCHEMBL8959130

NC(=O)c1ccc(C(=O)n2c3ccc2cc3)c([N+](=O)[O-])c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.55
GAA P10253 4/20 0.50
ALDH1A1 P00352 4/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 2/20 0.50
POLB P06746 3/20 0.46
CTPS1 P17812 1/20 0.46
MAPT P10636 6/20 0.45
LMNA P02545 6/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
TSHR P16473 2/20 0.44
NPC1 O15118 1/20 0.44
NOD1 Q9Y239 1/20 0.44
ATM Q13315 1/20 0.43

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
SCHEMBL8349696 0.82 PARP1 (0.67) PARP1GAAALDH1A1L3MBTL1PKM
SCHEMBL8787371 0.80 PARP1 (0.63) PARP1GAAALDH1A1L3MBTL1PKM
SCHEMBL11776639 0.78 PARP1 (0.61) PARP1GAAALDH1A1L3MBTL1PKM
Hydrochloric Acid SCHEMBL11776647 0.78 PARP1 (0.61) PARP1GAAALDH1A1L3MBTL1PKM
SCHEMBL11480777 0.77 PARP1 (0.59) PARP1GAAALDH1A1L3MBTL1PKM
SCHEMBL10684097 0.76 PARP1 (0.42) PARP1ALDH1A1POLBLMNAKMT2A
SCHEMBL1254186 0.76 PARP1 (0.71) PARP1GAAALDH1A1L3MBTL1PKM
SCHEMBL9067479 0.75 IP6K1 (0.42) PARP1ALDH1A1L3MBTL1HTTKMT2A
SCHEMBL6072302 0.75 PARP1 (0.56) PARP1GAAALDH1A1L3MBTL1PKM
SCHEMBL27946265 0.75 PARP1 (0.56) PARP1GAAALDH1A1L3MBTL1PKM

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-5575949-A Thermoset molecular composites THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, OFFICE OF TECHNOLOGY TRANSFER (US) 1996-11-19 US claimed
US-5575949-A Thermoset molecular composites THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, OFFICE OF TECHNOLOGY TRANSFER (US) 1996-11-19 US disclosed