SCHEMBL7960802

SCHEMBL7960802

CCCOc1ccccc1C(=O)Nc1sccc1C(N)=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
HPGD P15428 1/20 0.64
MAPK8 P45983 5/20 0.55
POLB P06746 2/20 0.54
KDM4E B2RXH2 1/20 0.54
MAPT P10636 2/20 0.53
MAPK10 P53779 2/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TP53 P04637 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NR1I2 O75469 1/20 0.52
LMNA P02545 1/20 0.52
CHRM2 P08172 1/20 0.52
CYP3A4 P08684 1/20 0.52
ADRA2A P08913 1/20 0.52
OPRK1 P41145 1/20 0.52

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
SCHEMBL7163100 0.81 MAPT (0.58) MEN1KMT2AMAPTNPC1ALDH1A1
SCHEMBL3352936 0.79 LMNA (0.79) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL17274993 0.78 MAPK1 (0.81) HPGDNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL15528701 0.78 L3MBTL1 (0.69) MEN1KMT2AHPGDKDM4EMAPT
Hydrochloric Acid SCHEMBL1239153 0.77 LMNA (0.77) MEN1KMT2AKDM4EMAPTALDH1A1
Hydrochloric Acid SCHEMBL7831044 0.77 LMNA (0.77) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7167278 0.77 MAPT (0.53) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL7718074 0.77 BRD4 (0.55) MEN1KMT2AHPGDKDM4EMAPT
SCHEMBL16464436 0.76 MEN1 (0.69) MEN1KMT2AMAPTALDH1A1NR1I2
Oxalic Acid SCHEMBL27771077 0.75 LMNA (0.72) MEN1KMT2AKDM4EMAPTALDH1A1

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-6200980-B1 ADMINISTERING PHENYL PURINONE COMPOUND FOR TREATING PRECANCEROUS LEISONS CELL PATHWAYS, INC. 2001-03-13 US disclosed
EP-0349239-B1 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE FRENCH LAB (GB) 1994-03-16 EP disclosed
US-5075310-A PYRIMIDONE DERIVATIVES AS BRONCHODILATORS SMITH KLINE & FRENCH LABORATORIES, LTD. (GB) 1991-12-24 US disclosed
EP-0349239-A2 Condensed pyrimidine derivatives, process and intermediates for their preparation and pharmaceutical compositions containing them SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-01-03 EP disclosed