SCHEMBL8917859

SCHEMBL8917859

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 7/20 0.64
MMP2 P08253 7/20 0.64
MMP9 P14780 7/20 0.64
EGFR P00533 6/20 0.64
CYP19A1 P11511 2/20 0.60
CYP24A1 Q07973 2/20 0.54
CNR1 P21554 1/20 0.53
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CYP26A1 O43174 1/20 0.50
NAMPT P43490 1/20 0.50
ALDH1A1 P00352 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
DEGS1 O15121 1/20 0.49
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL8917860 1.00 MMP1 (0.64) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL8917719 0.93 EGFR (0.58) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5566239 0.93 EGFR (0.58) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL6866861 0.93 EGFR (0.58) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565423 0.91 EGFR (0.55) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565426 0.91 EGFR (0.55) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL6862715 0.89 MMP1 (0.64) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL6862717 0.89 MMP1 (0.64) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565532 0.85 MMP1 (0.55) MMP1MMP2MMP9EGFRCYP19A1
SCHEMBL5565528 0.85 MMP1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5612354-A CONTROLLING CELL GROWTH AND DIFFERENTIATION, RETINOIC ACID METABOLISM JANSSEN PHARMACEUTICA N.V. (BE) 1997-03-18 US disclosed
US-5441954-A Treatment of disorders characterized by increased proliferation and/or abnormal differentiation of cells JANSSEN PHARMACEUTICA N. V. (BE) 1995-08-15 US disclosed
US-5185346-A Antiandrogenic agents; suppress elimination of retinoids; anticarcinogenic agents HANSSEN PHARMACEUTICA (BE) 1993-02-09 US disclosed