SCHEMBL7833588

SCHEMBL7833588

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

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 8/20 0.36
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
BRD4 O60885 1/20 0.33
PDE2A O00408 1/20 0.31

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
SCHEMBL7830076 0.87 MAPK1 (0.39) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL4814293 0.85 KMT2A (0.33) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL4820350 0.84 ENPP1 (0.36) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL7832550 0.84 KMT2A (0.32) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL6997752 0.83 ENPP1 (0.37) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL6991919 0.83 MBOAT4 (0.32) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL7833106 0.82 ENPP1 (0.36) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL14573289 0.82 ENPP1 (0.38) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL7833586 0.81 MAPK1 (0.37) ENPP1KMT2AALDH1A1POLBTSHR
SCHEMBL7833025 0.81 MAPK1 (0.44) ENPP1KMT2AALDH1A1POLBTSHR

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