SCHEMBL6862715

SCHEMBL6862715

O=C(/C=C\c1ccccc1)Nc1ccc(C(c2ccc(F)cc2)n2ccnc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 8/20 0.64
MMP2 P08253 8/20 0.64
MMP9 P14780 8/20 0.64
EGFR P00533 7/20 0.64
CYP19A1 P11511 2/20 0.55
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
CYP26A1 O43174 1/20 0.50
CYP24A1 Q07973 1/20 0.50
NAMPT P43490 1/20 0.50
DEGS1 O15121 1/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CYP17A1 P05093 1/20 0.47
DHODH Q02127 1/20 0.46

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
SCHEMBL6862717 1.00 MMP1 (0.64) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5566239 0.93 EGFR (0.58) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL8917719 0.93 EGFR (0.58) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL6866861 0.93 EGFR (0.58) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565528 0.91 MMP1 (0.55) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565532 0.91 MMP1 (0.55) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL8917860 0.89 MMP1 (0.64) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL8917859 0.89 MMP1 (0.64) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565423 0.85 EGFR (0.55) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565426 0.85 EGFR (0.55) MMP1MMP2MMP9EGFRCYP19A1

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-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP claimed
EP-1037880-B1 RETINOIC ACID MIMETIC ANILIDES JANSSEN PHARMACEUTICA NV (BE) 2004-06-30 EP disclosed