SCHEMBL6993136

SCHEMBL6993136

CCCCc1c(-c2ccccc2Cl)c(Cl)nc2ncnn12

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
ADORA2A P29274 2/20 0.39
EGLN2 Q96KS0 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ENPP1 P22413 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
CRHR1 P34998 1/20 0.37
PDE2A O00408 3/20 0.36
HSD11B1 P28845 1/20 0.36
TLR8 Q9NR97 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
USP2 O75604 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
SCHEMBL6990123 0.89 MEN1 (0.42) ALDH1A1ENPP1MEN1KMT2AATM
SCHEMBL6991515 0.88 ALDH1A1 (0.38) ALDH1A1EGLN2TDP1PDE2ATLR8
SCHEMBL6997123 0.85 KDM4E (0.42) ALDH1A1ENPP1MEN1KMT2AATM
SCHEMBL6997181 0.83 ALDH1A1 (0.38) ALDH1A1ENPP1PDE2AMEN1KMT2A
SCHEMBL4810488 0.81 ALDH1A1 (0.38) ALDH1A1ENPP1TDP1MEN1KMT2A
SCHEMBL4814229 0.80 ALDH1A1 (0.38) ALDH1A1ENPP1PDE2AMEN1KMT2A
SCHEMBL4817006 0.79 ALDH1A1 (0.37) ALDH1A1ENPP1PDE2AMEN1KMT2A
SCHEMBL8124142 0.78 EGLN2 (0.47) ALDH1A1EGLN2ENPP1PDE2AUSP2
SCHEMBL974128 0.76 ATM (0.40) ALDH1A1MEN1KMT2AATM
SCHEMBL6995491 0.75 ALDH1A1 (0.40) ALDH1A1ENPP1PDE2AMEN1KMT2A

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 9 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
EP-1054888-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 2000-11-29 EP claimed
US-6020338-A Fungicidal 7-alkyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-02-01 US claimed
WO-1999041255-A1 FUNGICIDAL 7-ALKYL-TRIAZOLOPYRIMIDINES AMERICAN CYANAMID COMPANY (US) 1999-08-19 WO 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