SCHEMBL10362606

SCHEMBL10362606

CCOc1ccc(C(=O)OC)c(N)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 5/20 0.58
GAA P10253 5/20 0.58
MAPT P10636 4/20 0.58
HSD17B10 Q99714 4/20 0.58
HPGD P15428 3/20 0.58
GLA P06280 2/20 0.58
CASP1 P29466 1/20 0.58
CASP7 P55210 1/20 0.58
ATM Q13315 1/20 0.58
ABL1 P00519 1/20 0.57
CFTR P13569 2/20 0.53
TDP1 Q9NUW8 1/20 0.51
LMNA P02545 1/20 0.49
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 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
SCHEMBL11153695 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL4251894 0.88 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL13740239 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL22749335 0.87 ALDH1A1 (0.58) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL21543853 0.85 TDP1 (0.55) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL27122631 0.84 ALDH1A1 (0.55) ALDH1A1KDM4EGAAMAPTHSD17B10
SCHEMBL11833005 0.83 KDM4E (0.53) ALDH1A1KDM4EMAPTHSD17B10HPGD
SCHEMBL18823988 0.83 KDM4E (0.57) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL5952448 0.83 PARP10 (0.56) ALDH1A1KDM4EMAPTTDP1LMNA
SCHEMBL858839 0.83 ALDH1A1 (0.66) ALDH1A1KDM4EGAAMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3323819-B1 COMBINATIONS OF RIP2 KINASE INHIBITOR PRODRUG 2-((4-(BENZO[D]THIAZOL-5-YLAMINO)-6-(TERT. -BUTYLSULFONYL)QUINAZOLIN-7-YL)OXY)ETHYL DIHYDROGEN PHOSPHATE WITH OTHER THERAPEUTIC AGENTS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-02-26 EP disclosed
EP-0147211-B1 4H-3,1-BENZOXAZIN-4-ONES AND RELATED COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND PROCESSES FOR THEIR PREPARATION SYNTEX (U.S.A.) INC. (US) 1990-09-12 EP disclosed
US-4657893-A ANTIINFLAMMATORY AGENTS SYNTEX (U.S.A.) INC. (US) 1987-04-14 US disclosed
EP-0147211-A2 4H-3,1-benzoxazin-4-ones and related compounds, pharmaceutical compositions containing them, and processes for their preparation SYNTEX (U.S.A.) INC. (US) 1985-07-03 EP disclosed
US-4377581-A ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1983-03-22 US disclosed
US-4351940-A Chloro- and alkoxy-substituted-2-chloro-4-aminodquinazolines PFIZER INC. (US) 1982-09-28 US disclosed
US-4287341-A USEFUL AS ANTIHYPERTENSIVE AGENTS PFIZER INC. (US) 1981-09-01 US disclosed
EP-0028473-A1 Chloro- and alkoxy-substituted-2,4-diaminoquinazolines and pharmaceutical compositions containing them PFIZER INC. (US) 1981-05-13 EP disclosed