SCHEMBL7457465

SCHEMBL7457465

N=C(N)Nc1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.67
NR1H4 Q96RI1 8/20 0.64
KMT2A Q03164 3/20 0.64
FFAR1 O14842 2/20 0.64
MEN1 O00255 1/20 0.64
TP53 P04637 1/20 0.64
GLA P06280 1/20 0.64
HPSE Q9Y251 1/20 0.57
KDM4E B2RXH2 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
POLB P06746 1/20 0.51
AGBL2 Q5U5Z8 1/20 0.51
PLG P00747 1/20 0.50
PLAU P00749 1/20 0.50
PLAT P00750 1/20 0.50
KLKB1 P03952 1/20 0.50
PRSS1 P07477 1/20 0.50

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
SCHEMBL7864209 0.91 HPSE (0.62) ALDH1A1NR1H4KMT2AFFAR1MEN1
SCHEMBL7373419 0.88 ITGB3 (0.66) ALDH1A1NR1H4KMT2AFFAR1MEN1
SCHEMBL7457481 0.84 NR1H4 (0.67) ALDH1A1NR1H4KMT2AFFAR1MEN1
SCHEMBL4099538 0.83 KMT2A (0.57) ALDH1A1NR1H4KMT2AFFAR1MEN1
SCHEMBL7453923 0.83 ITGB3 (0.67) ALDH1A1KMT2AMEN1ITGB3ITGA2B
SCHEMBL7381598 0.83 ITGB3 (0.67) ALDH1A1KMT2AMEN1ITGB3ITGA2B
SCHEMBL9303751 0.82 ITGB3 (0.62) KMT2AMEN1HPSEITGB3ITGA2B
SCHEMBL7371397 0.82 PPARA (0.53) ALDH1A1KMT2AFFAR1MEN1TP53
Hydrochloric Acid SCHEMBL7319435 0.82 KMT2A (0.56) ALDH1A1NR1H4KMT2AFFAR1MEN1
SCHEMBL7856474 0.81 SIRT2 (0.51) ALDH1A1NR1H4KMT2AHPSEAGBL2

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
EP-0891325-B1 PARA-SUBSTITUTED PHENYLPROPANOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS SEARLE & CO (US) 2002-02-06 EP claimed