SCHEMBL5236413

SCHEMBL5236413

Fc1cccc(Cl)c1-c1c(Cl)nc2ncnn2c1Cl

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 2/20 0.37
ENPP1 P22413 1/20 0.37
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
PDE2A O00408 1/20 0.37
EGLN2 Q96KS0 4/20 0.36
LMNA P02545 2/20 0.35
PTGES O14684 2/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MBOAT4 Q96T53 1/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
JAK2 O60674 1/20 0.34

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
SCHEMBL5622818 0.93 ALDH1A1 (0.39) ALDH1A1KMT2APOLBTSHREGLN2
SCHEMBL5433058 0.86 ALDH1A1 (0.46) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL4819849 0.86 MBOAT4 (0.44) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL4810439 0.84 ALDH1A1 (0.42) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL4820443 0.84 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL4818702 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL7956372 0.83 LMNA (0.40) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL7958877 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL6998549 0.83 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1POLBTSHR
SCHEMBL6998016 0.83 ALDH1A1 (0.41) ALDH1A1KMT2AENPP1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0782997-B1 Triazolopyrimidine derivatives SHELL INT RESEARCH (NL) 2000-04-26 EP claimed
EP-0782997-A2 Triazolopyrimidine derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1997-07-09 EP claimed
EP-1751162-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2007-02-14 EP disclosed
WO-2005113555-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE FOR CONTROLLING PATHOGENIC FUNGI BASF AKTIENGESELLSCHAFT (DE) 2005-12-01 WO disclosed
EP-1359150-A2 A process and intermediates for the preparation of fungicidal 7-alkyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT (DE) 2003-11-05 EP disclosed
EP-0770615-B1 Process for the preparation of dihaloazolopyrimidines BASF AG (DE) 2003-06-18 EP disclosed
EP-0782997-B1 Triazolopyrimidine derivatives SHELL INT RESEARCH (NL) 2000-04-26 EP disclosed
US-5808066-A CYCLIZATION REACTION OF 5-AMINO-(1H)-1,2,4-TRIAZOLE WITH MALONIC ACID DIESTER; SALT FORMATION, ACIDIFICATION, HALOGENATION AMERICAN CYANAMID COMPANY (US) 1998-09-15 US disclosed
EP-0770615-A1 Process for the preparation of dihaloazolopyrimidines American Cyanamid Company (US) 1997-05-02 EP disclosed
US-5593996-A FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1997-01-14 US disclosed