SCHEMBL7712458

SCHEMBL7712458

O=c1[nH]cc(Oc2ccc(Cl)cc2)c(=O)[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
RXFP1 Q9HBX9 1/20 0.47
SLC2A1 P11166 1/20 0.41
RHEB Q15382 1/20 0.41
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
DPYD Q12882 2/20 0.38
KDM4C Q9H3R0 1/20 0.38
HAO1 Q9UJM8 1/20 0.38
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
LMNA P02545 2/20 0.37

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
SCHEMBL11614897 0.83 ATAD2 (0.50) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL1748619 0.82 ALDH1A1 (0.50) MEN1KMT2AALDH1A1MAPTKDM4E
SCHEMBL31090687 0.79 DPYD (0.50) MEN1KMT2ARXFP1ALDH1A1MAPT
SCHEMBL11616692 0.79 SLC6A4 (0.39) ALDH1A1DPYDMAOALMNAATAD2
SCHEMBL3129822 0.71 LYN (0.50) KMT2AALDH1A1SMN1; SMN2CYP1A2LMNA
SCHEMBL2882225 0.70 KMT2A (0.47) MEN1KMT2ARHEBALDH1A1MAPT
SCHEMBL29809206 0.69 ALDH1A1 (0.67) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5202998 0.69 LTA4H (0.57) MEN1KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5207646 0.69 KDM4C (0.41) MEN1KMT2ASLC2A1ALDH1A1MAPT
SCHEMBL11617240 0.68 ALDH1A1 (0.44) ALDH1A1HPGDCYP1A2DPYDLMNA

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
US-6440965-B1 Substituted pyrimidine derivatives, their preparation and their use in the treatment of neurodegenerative or neurological disorders of the central nervous system KRENITSKY PHARMACEUTICALS, INC. 2002-08-27 US disclosed
EP-1025091-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM Krenitsky Pharmaceuticals, Inc. (US) 2000-08-09 EP disclosed
WO-1999019305-A2 SUBSTITUTED PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEURODEGENERATIVE OR NEUROLOGICAL DISORDERS OF THE CENTRAL NERVOUS SYSTEM KRENITSKY PHARMACEUTICALS INC. (US) 1999-04-22 WO disclosed