SCHEMBL9190860

SCHEMBL9190860

O=C(/C=C/C=C/C1(F)CC1c1ccc(Br)c(Br)c1)Nc1ccccc1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 6/20 0.39
MMP2 P08253 6/20 0.39
MMP9 P14780 6/20 0.39
CXCR1 P25024 3/20 0.37
EPHX2 P34913 1/20 0.36
KDM1A O60341 1/20 0.35
CXCR2 P25025 3/20 0.34
EGFR P00533 1/20 0.33
MAPT P10636 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
HTT P42858 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
P2RX4 Q99571 1/20 0.32
P2RX7 Q99572 1/20 0.32
KDM4E B2RXH2 1/20 0.31
PKM P14618 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
SCHEMBL27447172 1.00 MMP1 (0.39) MMP1MMP2MMP9CXCR1EPHX2
SCHEMBL9196128 0.92 EGFR (0.42) CXCR1CXCR2EGFRMAPTLMNA
SCHEMBL9193683 0.90 MMP1 (0.40) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9191690 0.89 MMP1 (0.40) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9188945 0.89 MMP1 (0.40) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9190956 0.89 MMP1 (0.40) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9191694 0.89 MMP1 (0.40) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9455405 0.89 MMP1 (0.40) MMP1MMP2MMP9EGFRMAPT
SCHEMBL9194352 0.87 EGFR (0.32) EGFR
SCHEMBL9188292 0.87 MAOB (0.41) MMP1MMP2MMP9EGFRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0524041-B1 Pesticides ROUSSEL UCLAF (FR) 1995-09-20 EP disclosed
EP-0524041-A2 Pesticides ROUSSEL UCLAF (FR) 1993-01-20 EP disclosed