SCHEMBL6990107

SCHEMBL6990107

COc1cc(F)cc(F)c1-c1c(Cl)nc2ncnn2c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.40
ALDH1A1 P00352 8/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
HPGD P15428 4/20 0.40
LMNA P02545 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 2/20 0.39
MAPT P10636 1/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MBOAT4 Q96T53 2/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 2/20 0.35

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
SCHEMBL973763 0.89 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4811916 0.86 ALDH1A1 (0.47) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6994541 0.81 KDM4E (0.44) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL7165653 0.80 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4820813 0.78 ALDH1A1 (0.43) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4810439 0.78 ALDH1A1 (0.42) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL976567 0.78 KDM4E (0.48) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL4492293 0.76 ALDH1A1 (0.37) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL7958836 0.76 MBOAT4 (0.37) KDM4EALDH1A1SMN1; SMN2HPGDLMNA
SCHEMBL6990103 0.76 PDE2A (0.40) MBOAT4

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