SCHEMBL9188945

SCHEMBL9188945

Cc1ccccc1NC(=O)/C=C/C=C/[C@]1(F)C[C@H]1c1ccc(Br)c(Br)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.40
MMP2 P08253 4/20 0.40
MMP9 P14780 4/20 0.40
EGFR P00533 2/20 0.40
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 4/20 0.36
P2RX7 Q99572 1/20 0.34
DDX3X O00571 1/20 0.34
MAPT P10636 5/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.33

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
SCHEMBL9191694 1.00 MMP1 (0.40) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL9191690 1.00 MMP1 (0.40) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL9455405 1.00 MMP1 (0.40) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL9190956 1.00 MMP1 (0.40) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL9196128 0.91 EGFR (0.42) EGFRNPC1RAB9ASMN1; SMN2MAPT
SCHEMBL9193683 0.89 MMP1 (0.40) MMP1MMP2MMP9EGFRNPC1
SCHEMBL9190860 0.89 MMP1 (0.39) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL9190959 0.89 MMP1 (0.42) MMP1MMP2MMP9EGFRKDM4E
SCHEMBL9194823 0.89 MAPT (0.35) KDM4EMAPTKMT2AMEN1ALDH1A1
SCHEMBL9190700 0.89 ALDH1A1 (0.36) EGFRKDM4ENPC1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP claimed
EP-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP disclosed
US-5270343-A Penta-2,4-dienamides and use as pesticides ROUSSEL UCLAF (FR) 1993-12-14 US disclosed
EP-0524041-A2 Pesticides ROUSSEL UCLAF (FR) 1993-01-20 EP disclosed