SCHEMBL7323928

SCHEMBL7323928

CCCCOc1ccc(-c2ccc(C(=O)NN)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.63
PLK1 P53350 1/20 0.59
MMP1 P03956 1/20 0.58
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
GAA P10253 2/20 0.57
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
STAT3 P40763 1/20 0.57
HRH3 Q9Y5N1 1/20 0.56
TP53 P04637 1/20 0.55
TSHR P16473 1/20 0.55
MEN1 O00255 1/20 0.55
NPC1 O15118 1/20 0.55
RAB9A P51151 1/20 0.55
KMT2A Q03164 1/20 0.55
PLA2G4B P0C869 1/20 0.54

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
SCHEMBL7317986 0.97 RARB (0.68) RARBPLK1MMP1TP53TSHR
SCHEMBL7326374 0.95 RARB (0.71) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL7325242 0.95 RARB (0.71) RARBPLK1TP53TSHRPLA2G4B
SCHEMBL10762321 0.95 PLK1 (0.65) PLK1MMP1LMNASMN1; SMN2GAA
SCHEMBL6538458 0.94 PLK1 (0.69) RARBPLK1SMN1; SMN2CA1CA2
SCHEMBL7330555 0.92 TP53 (0.66) RARBPLK1MMP1CA1CA2
SCHEMBL28467816 0.90 TP53 (0.69) RARBTP53TSHRPLA2G4B
SCHEMBL4822746 0.90 TP53 (0.69) RARBTP53TSHRPLA2G4B
SCHEMBL9242371 0.90 TP53 (0.69) RARBTP53TSHRPLA2G4B
SCHEMBL3952381 0.90 TP53 (0.69) RARBTP53TSHRPLA2G4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1240713-C New compound FUJISAWA PHARMACEUTICAL CO (JP) 2006-02-08 CN disclosed
CN-1296494-A New compound FUJISAWA PHARMACEUTICAL CO (JP) 2001-05-23 CN disclosed
US-6232290-B1 FUNGICIDES AGAINST PNEUMOCYSTIS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-15 US disclosed
EP-1053247-A1 ANTIFUNGAL CYCLOHEXAPEPTIDES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-11-22 EP disclosed
WO-1999040108-A1 NEW COMPOUND FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-08-12 WO disclosed