SCHEMBL6998549

SCHEMBL6998549

CC(C)c1c(-c2c(F)cccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 3/20 0.36
ENPP1 P22413 3/20 0.36
PDE2A O00408 2/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 2/20 0.35
GAA P10253 2/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EGLN2 Q96KS0 1/20 0.33

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
SCHEMBL6999154 0.89 ALDH1A1 (0.38) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL5236413 0.83 ALDH1A1 (0.40) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL4819235 0.82 ALDH1A1 (0.39) ALDH1A1PDE2APOLBTSHRGAA
SCHEMBL4819442 0.82 ALDH1A1 (0.39) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL7262159 0.82 LMNA (0.39) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL4819686 0.82 ALDH1A1 (0.37) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL4819849 0.81 MBOAT4 (0.44) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL7956372 0.81 LMNA (0.40) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL7958877 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AENPP1PDE2APOLB
SCHEMBL6998016 0.81 ALDH1A1 (0.41) ALDH1A1KMT2AENPP1PDE2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
EP-1054888-B1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2003-11-26 EP 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-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP disclosed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US disclosed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO disclosed