SCHEMBL7833586

SCHEMBL7833586

C=C(C)N(C)c1c(-c2c(F)cc(F)cc2F)c(Cl)nc2ncnn12

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.37
ENPP1 P22413 6/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.35
PDE2A O00408 1/20 0.34
ALOX15 P16050 1/20 0.32

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
SCHEMBL4820350 0.87 ENPP1 (0.36) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL14573289 0.84 ENPP1 (0.38) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL4819244 0.83 MAPK1 (0.38) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL14573287 0.82 ENPP1 (0.39) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL4820523 0.82 ENPP1 (0.36) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL7833025 0.81 MAPK1 (0.44) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL7833588 0.81 ENPP1 (0.36) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL4814284 0.81 ENPP1 (0.35) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL6997752 0.80 ENPP1 (0.37) MAPK1ENPP1KMT2AMEN1GAA
SCHEMBL14573288 0.79 KMT2A (0.37) MAPK1ENPP1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6297251-B1 Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID CO. 2001-10-02 US disclosed
EP-0975634-B1 FUNGICIDAL TRIFLUOROPHENYL-TRIAZOLOPYRIMIDINES BASF AG (DE) 2001-07-04 EP disclosed
US-6117876-A Fungicidal trifluorophenyl-triazolopyrimidines AMERICAN CYANAMID COMPANY (US) 2000-09-12 US disclosed