SCHEMBL7366568

SCHEMBL7366568

NC(=O)c1ccc(C[C]=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G10 O15496 1/20 0.59
PLA2G2A P14555 1/20 0.59
PARP10 Q53GL7 8/20 0.50
CYP17A1 P05093 1/20 0.50
KMT2A Q03164 3/20 0.45
PARP4 Q9UKK3 2/20 0.45
ALDH1A1 P00352 1/20 0.45
PARP15 Q460N3 1/20 0.45
PARP14 Q460N5 1/20 0.45
PARP16 Q8N5Y8 1/20 0.45
PARP11 Q9NR21 1/20 0.45
PARP1 P09874 3/20 0.44
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C19 P33261 1/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.44
PMP22 Q01453 1/20 0.44

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
SCHEMBL7134591 0.81 PLA2G10 (0.83) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL1032852 0.81 PLA2G10 (0.52) PLA2G10PLA2G2APARP10CYP17A1KMT2A
SCHEMBL1446320 0.81 PRSS1 (0.57)
SCHEMBL6538715 0.80 ALDH1A1 (0.56) KMT2AALDH1A1TSHRPOLBMAPT
SCHEMBL27263454 0.78 KMT2A (0.68) KMT2ATSHRPOLBMAPTHSD17B10
SCHEMBL11139354 0.78 CYP3A4 (0.42) KMT2AALDH1A1TSHRCYP3A4HSD17B10
SCHEMBL10777359 0.76 PARP1 (0.50) PLA2G10PLA2G2APARP10KMT2APARP15
SCHEMBL2861358 0.76 PLA2G10 (0.55) PLA2G10PLA2G2APARP10CYP17A1KMT2A
Terephthalamide SCHEMBL23774 0.75 PARP1 (0.71) PLA2G10PLA2G2APARP10KMT2APARP4
SCHEMBL7176156 0.75 ALDH1A1 (0.56) PLA2G10PLA2G2AKMT2AALDH1A1MAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998018764-A1 DIHYDROBENZOANTHRACENONE, -PYRIMIDINONE OR DIHYDRONAPHTOQUINOLINONE MERCK PATENT GMBH (DE) 1998-05-07 WO disclosed
US-4458071-A Process for 1-oxa-β-lactams ELI LILLY AND COMPANY (US) 1984-07-03 US disclosed
EP-0109302-A1 Process for 1-oxa-beta-lactams ELI LILLY AND COMPANY (US) 1984-05-23 EP disclosed