SCHEMBL11375853

SCHEMBL11375853

COC(=O)c1nc2cc(Oc3ccccc3)c(SSc3c(Oc4ccccc4)cc4nc(C(=O)OC)[nH]c4c3N)c(N)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ XDH P47989 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ MMP13 P45452 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ BRD4 O60885 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ ABL1 P00519 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.34
▸ FGFR1 P11362 1/20 0.34
▸ FGFR2 P21802 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HPGDS O60760 1/20 0.34
▸ TTR P02766 1/20 0.33

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
SCHEMBL11366924 0.85 KDM4E (0.40) KDM4EHSD17B10ALDH1A1POLBGAA
SCHEMBL11367790 0.84 MMP13 (0.41) MMP13HSD17B10SMN1; SMN2ALDH1A1NPC1
SCHEMBL11373212 0.79 KDM4E (0.35) XDHKDM4EHSD17B10SMN1; SMN2ALDH1A1
SCHEMBL11367375 0.78 ILK (0.34) KDM4EHSD17B10ALDH1A1POLBGAA
SCHEMBL11371143 0.78 RHEB (0.38) KDM4ESMN1; SMN2GAAABL1FGFR1
SCHEMBL11378316 0.78 XDH (0.36) XDHKDM4EMMP13HSD17B10ALDH1A1
SCHEMBL11369909 0.75 CFTR (0.37) KDM4EHSD17B10ALDH1A1ABL1MAPT
SCHEMBL11372473 0.73 CNR2 (0.37) CYP1A2GAAMAPT
SCHEMBL11372873 0.71 FGFR1 (0.35) KDM4EHSD17B10ALDH1A1GAAFGFR1
SCHEMBL6232876 0.69 CYP1A2 (0.42) KDM4EHSD17B10SMN1; SMN2CYP1A2CYP2C9

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
US-4259344-A FUNGICIDES, ANTHELMINTICS CHINOIN GYOGYSZER ES VEGYESZETI TERMEKEK GYARA R.T. (HU) 1981-03-31 — — US disclosed
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