SCHEMBL11315740

SCHEMBL11315740

O=c1[nH]cc(F)c(=O)n1Cc1ccccc1.[Ag]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ ALDH1A1 P00352 3/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ PKM P14618 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ P2RX4 Q99571 1/20 0.44
▸ GSK3A P49840 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ PDE4A P27815 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ PDE4C Q08493 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ MIF P14174 2/20 0.41
▸ CD74 P04233 1/20 0.41
▸ PNP P00491 1/20 0.41
▸ MAPT P10636 2/20 0.41
▸ TP53 P04637 1/20 0.41

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
Hydrogen Sulfide SCHEMBL27583639 0.97 HPGD (0.50) HPGDKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL10171783 0.79 KDM4E (0.51) KDM4EALDH1A1SMN1; SMN2L3MBTL1P2RX4
SCHEMBL21178006 0.79 ALDH1A1 (0.48) HPGDKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4164688 0.79 ALDH1A1 (0.51) HPGDKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL1584775 0.79 ALDH1A1 (0.51) HPGDKDM4EALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL4098207 0.79 MEN1 (0.53) HPGDKDM4EALDH1A1SMN1; SMN2CYP3A4
SCHEMBL28676104 0.78 P2RX4 (0.50) KDM4EALDH1A1SMN1; SMN2L3MBTL1P2RX4
SCHEMBL15978138 0.77 FPR1 (0.51) HPGDKDM4EALDH1A1SMN1; SMN2P2RX4
SCHEMBL3993882 0.75 KDM4E (0.48) HPGDKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL7521745 0.75 ALDH1A1 (0.48) HPGDKDM4EALDH1A1SMN1; SMN2P2RX4

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-4248999-A ANTITUMOR AGENTS SANKYO COMPANY LIMITED (JP) 1981-02-03 — — US disclosed
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