SCHEMBL11548593

SCHEMBL11548593

O=C(O)c1nc2cc3ccccc3cc2c(=O)[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.59
MAPT P10636 4/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
ALDH1A1 P00352 2/20 0.59
NPC1 O15118 1/20 0.59
USP2 O75604 1/20 0.59
GLA P06280 1/20 0.59
GAA P10253 1/20 0.59
HPGD P15428 1/20 0.59
RAB9A P51151 1/20 0.59
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50
BRD4 O60885 1/20 0.47
TP53 P04637 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
HIF1A Q16665 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PIN1 Q13526 2/20 0.43
MEN1 O00255 2/20 0.42

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
SCHEMBL11576628 0.86 MAPT (0.58) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL11661097 0.83 MAPT (0.55) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL4936991 0.83 TOP2A (0.58) KDM4EMAPTALDH1A1HPGDTOP2A
SCHEMBL29965486 0.83 TOP2A (0.58) KDM4EMAPTALDH1A1HPGDTOP2A
SCHEMBL11549367 0.80 TOP2A (0.50) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL13343647 0.79 PARP1 (0.50) KDM4EMAPTALDH1A1HPGDTOP2A
SCHEMBL8199577 0.79 ALDH1A1 (0.57) KDM4EMAPTSMN1; SMN2ALDH1A1NPC1
SCHEMBL13343610 0.77 TUBB4A (0.52) KDM4ETOP2ATOP2BBRD4HSD17B10
SCHEMBL8197038 0.77 PIN1 (0.67) KDM4EALDH1A1TP53HSD17B10PIN1
SCHEMBL13343598 0.77 KDM4E (0.57) KDM4EMAPTALDH1A1HPGDHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4134981-A ANTIALLERGENS PFIZER INC. (US) 1979-01-16 US disclosed
US-4120962-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1978-10-17 US disclosed
US-4044134-A FUSED WITH QUINOLINE OR PYRIDINE, 2-METHYL, ETHYL, OR ACETYL GROUP PFIZER INC. (US) 1977-08-23 US disclosed
US-3974161-A Fused pyrimidin-4(3H)-ones as antiallergy agents PFIZER INC. (US) 1976-08-10 US disclosed