SCHEMBL7323788

SCHEMBL7323788

COC(=O)c1ccc(-c2nnc(-c3ccc(-c4ccc(OC)cc4)cc3)o2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
KDM4E B2RXH2 5/20 0.60
USP2 O75604 1/20 0.60
ABCG2 Q9UNQ0 1/20 0.60
NPC1 O15118 5/20 0.59
RAB9A P51151 5/20 0.59
KMT2A Q03164 3/20 0.59
CSNK2A2 P19784 1/20 0.59
CSNK2A1 P68400 1/20 0.59
ALDH1A1 P00352 5/20 0.58
HPGD P15428 3/20 0.58
HSD17B10 Q99714 3/20 0.58
MAPT P10636 2/20 0.58
TP53 P04637 1/20 0.58
NFKB1 P19838 1/20 0.58
NFKB2 Q00653 1/20 0.58
RELA Q04206 1/20 0.58
SMN1; SMN2 Q16637 1/20 0.58
LMNA P02545 1/20 0.57

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
SCHEMBL7323513 0.86 CSNK2A2 (0.71) CA1CA2KDM4EUSP2ABCG2
SCHEMBL18810398 0.85 GSK3B (0.78) CA1CA2KDM4EKMT2ACSNK2A2
SCHEMBL269558 0.85 CA1 (0.88) CA1CA2KDM4ENPC1RAB9A
SCHEMBL16604876 0.85 CA1 (0.88) CA1CA2KDM4ENPC1RAB9A
SCHEMBL1429971 0.85 NPC1 (0.60) KDM4EABCG2NPC1RAB9AKMT2A
SCHEMBL12798151 0.84 CSNK2A2 (0.73) CA1CA2KDM4EUSP2ABCG2
SCHEMBL12918700 0.84 TDP1 (0.65) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL9422430 0.84 CA1 (0.65) CA1CA2KDM4ENPC1RAB9A
SCHEMBL5202186 0.84 NPC1 (0.68) KDM4ENPC1RAB9AKMT2AALDH1A1
SCHEMBL7320882 0.84 MAPT (0.61) KDM4ENPC1RAB9AKMT2AALDH1A1

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
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