SCHEMBL27770381

SCHEMBL27770381

COc1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 4/20 0.80
MMP2 P08253 4/20 0.80
MMP9 P14780 4/20 0.80
EGFR P00533 2/20 0.80
TRPV1 Q8NER1 3/20 0.73
ALDH1A1 P00352 5/20 0.65
KDM4E B2RXH2 2/20 0.65
HPGD P15428 2/20 0.65
TRPA1 O75762 1/20 0.64
SMN1; SMN2 Q16637 4/20 0.62
RAB9A P51151 4/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
NPC1 O15118 3/20 0.62
NPSR1 Q6W5P4 2/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 2/20 0.62
TP53 P04637 2/20 0.62
CYP3A4 P08684 2/20 0.62
TSHR P16473 2/20 0.62

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
SCHEMBL31067997 0.88 RAB9A (0.66) MMP1MMP2MMP9EGFRTRPV1
SCHEMBL7663681 0.86 MMP1 (0.72) MMP1MMP2MMP9EGFRTRPV1
SCHEMBL13675885 0.84 TRPV1 (1.00) MMP1MMP2MMP9EGFRTRPV1
SCHEMBL296725 0.84 SMN1; SMN2 (0.77) MMP1MMP2MMP9EGFRTRPV1
SCHEMBL31067969 0.83 NPC1 (0.60) MMP1MMP2MMP9EGFRTRPV1
SCHEMBL6786949 0.83 TRPA1 (0.74) MMP1MMP2MMP9ALDH1A1KDM4E
SCHEMBL6786952 0.83 TRPA1 (0.74) MMP1MMP2MMP9ALDH1A1KDM4E
SCHEMBL20538436 0.81 KDM4E (0.63) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL24641305 0.81 MMP1 (0.82) MMP1MMP2MMP9EGFRALDH1A1
SCHEMBL20537564 0.80 ALDH1A1 (0.60) ALDH1A1KDM4EHPGDSMN1; SMN2RAB9A

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
CN-101490006-A Biaryl carboxylic acid arylamides as vanilloid-1 receptor modulators PHARMESTE SRL (IT) 2009-07-22 CN disclosed