SCHEMBL8497996

SCHEMBL8497996

CC(Cc1ccc(Cl)cc1C(F)(F)F)Nc1ncnc2ccc(F)cc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 9/20 0.46
▸ CNR2 P34972 6/20 0.46
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ USP10 Q14694 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ USP13 Q92995 1/20 0.41
▸ EGFR P00533 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CLK4 Q9HAZ1 1/20 0.38

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
SCHEMBL8517042 0.92 MEN1 (0.49) CNR1CNR2MEN1KMT2AEGFR
SCHEMBL8506836 0.88 GALR3 (0.44) CNR1CNR2MEN1KMT2AEGFR
SCHEMBL8516559 0.84 GALR3 (0.45) MEN1KMT2AEGFRCYP1A2CYP2D6
SCHEMBL9609147 0.84 MEN1 (0.41) MEN1KMT2AUSP10PIK3C3USP13
SCHEMBL8516740 0.82 CNR1 (0.36) CNR1CNR2EGFRLMNAHTT
SCHEMBL9608200 0.82 CNR1 (0.43) CNR1CNR2MEN1KMT2AUSP10
SCHEMBL8507035 0.81 LPAR2 (0.51) CNR1CNR2
SCHEMBL8491976 0.81 LPAR1 (0.45) CNR1CNR2
SCHEMBL8497510 0.81 CNR1 (0.37) CNR1CNR2MEN1KMT2AEGFR
SCHEMBL12960923 0.80 MEN1 (0.38) MEN1KMT2AEGFR

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
EP-2455371-A1 4-(3-BUTYNYL)AMINOPYRIMIDINE DERIVATIVES AS PEST CONTROL AGENTS FOR AGRICULTURAL AND HORTICULTURAL USE SDS Biotech K. K. (JP) 2012-05-23 — — EP disclosed
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