SCHEMBL7721484

SCHEMBL7721484

CCCOc1ccccc1C(=O)Nc1ccncc1C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 5/20 0.56
SGMS2 Q8NHU3 7/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
MAPT P10636 2/20 0.50
IRAK4 Q9NWZ3 1/20 0.50
NR1I2 O75469 1/20 0.50
LMNA P02545 1/20 0.50
CHRM2 P08172 1/20 0.50
CYP3A4 P08684 1/20 0.50
ADRA2A P08913 1/20 0.50
OPRK1 P41145 1/20 0.50
HTR2B P41595 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
BRD4 O60885 1/20 0.47
GAA P10253 2/20 0.47
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.46

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
SCHEMBL7726031 0.91 RXFP1 (0.53) RXFP1SGMS2MEN1KMT2AMAPT
SCHEMBL7163100 0.87 MAPT (0.58) RXFP1MEN1KMT2AMAPTNR1I2
SCHEMBL7721826 0.81 PTPN1 (0.58) RXFP1MEN1KMT2AMAPTIRAK4
SCHEMBL7718074 0.80 BRD4 (0.55) RXFP1MEN1KMT2AMAPTNR1I2
SCHEMBL31208496 0.80 SIRT3 (0.51) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL3729270 0.80 SIRT3 (0.51) MEN1KMT2AMAPTNR1I2LMNA
SCHEMBL15528449 0.79 RXFP1 (0.67) RXFP1SGMS2MEN1KMT2AMAPT
SCHEMBL3352936 0.77 LMNA (0.79) MEN1KMT2AMAPTIRAK4NR1I2
Hydrochloric Acid SCHEMBL1239153 0.76 LMNA (0.77) MEN1KMT2AMAPTIRAK4NR1I2
Hydrochloric Acid SCHEMBL7831044 0.76 LMNA (0.77) MEN1KMT2AMAPTIRAK4NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391885-B1 CONTROLLING APOPTOSIS IN AUTOIMMUNE DISEASE CELL PATHWAYS, INC. 2002-05-21 US disclosed
US-6060477-A Method of treating a patient having precancerous lesions with phenyl cycloamino pyrimidinone derivatives CELL PATHWAYS, INC. (US) 2000-05-09 US disclosed
EP-0347146-B1 FUSED PYRIMIDINE DERIVATIVES, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-01 EP disclosed
US-5047404-A Fused pyrimidine derivatives bronchodilator agents, antiallergens SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-09-10 US disclosed
EP-0347146-A2 Fused pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed