SCHEMBL7958987

SCHEMBL7958987

CC(Nc1c(-c2c(Cl)cc(Cl)cc2Cl)c(Cl)nc2ncnn12)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 2/20 0.36
MBOAT4 Q96T53 3/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 2/20 0.33
CRHR1 P34998 1/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 2/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 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
SCHEMBL14596578 0.88 KMT2A (0.37) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL8482833 0.87 MAPK1 (0.37) ALDH1A1KDM4EHPGDGAACRHR1
SCHEMBL343322 0.86 MAPK1 (0.35) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL976390 0.86 MAPK1 (0.35) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL4818612 0.86 MAPK1 (0.35) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL4483453 0.85 ALDH1A1 (0.37) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL4817150 0.85 CRHR1 (0.40) ALDH1A1HPGDMBOAT4KMT2AGAA
SCHEMBL23925419 0.84 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL4821470 0.84 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMBOAT4KMT2A
SCHEMBL23925421 0.84 ALDH1A1 (0.33) ALDH1A1KDM4EHPGDMBOAT4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6242451-B1 Fungicidal trihalophenyl-triazolopyrimidines BASF AKTIENGESELLSCHAFT 2001-06-05 US claimed