SCHEMBL7345574

SCHEMBL7345574

Cc1ccccc1CNC(Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.43
▸ HPGD P15428 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ PPARG P37231 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ITGB2 P05107 2/20 0.37
▸ ICAM1 P05362 2/20 0.37
▸ ITGAL P20701 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PDCD1 Q15116 1/20 0.36
▸ CD274 Q9NZQ7 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ SRC P12931 1/20 0.36

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
SCHEMBL6239442 0.87 POLB (0.41) KDM4EHPGDALDH1A1GAAPOLB
SCHEMBL2229634 0.87 POLB (0.41) KDM4EHPGDALDH1A1GAAPOLB
SCHEMBL1643961 0.84 GAA (0.40) ALDH1A1GAAPOLB
SCHEMBL466340 0.84 GAA (0.40) ALDH1A1GAAPOLB
SCHEMBL466341 0.84 GAA (0.40) ALDH1A1GAAPOLB
SCHEMBL3856794 0.83 ITGA4 (0.39) KDM4EHPGDALDH1A1PPARGGAA
SCHEMBL3856786 0.83 ITGA4 (0.39) KDM4EHPGDALDH1A1PPARGGAA
SCHEMBL31711243 0.82 ALDH1A1 (0.46) KDM4EALDH1A1KMT2APOLBL3MBTL1
SCHEMBL28558505 0.82 CPB2 (0.38) ALDH1A1
SCHEMBL147911 0.82 CPB2 (0.38) ALDH1A1

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
WO-1989004835-A1 HUMAN RESPIRATORY SYNCYTIALVIRUS VACCINE DERIVED FROM THE 1A (9.5 kD) PROTEIN THE UPJOHN COMPANY (US) 1989-06-01 — — WO disclosed
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