SCHEMBL7571890

SCHEMBL7571890

CC(C)c1nc2c(c(-c3ccc4ccccc4n3)c1C(=O)OCCC#N)c(=O)n(CC(=O)O)c(=O)n2C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.36
POLB P06746 2/20 0.36
USP2 O75604 1/20 0.36
ATM Q13315 1/20 0.33
HSD17B10 Q99714 4/20 0.32
HPGD P15428 4/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
CYP3A4 P08684 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
ALOX15 P16050 1/20 0.32
PTPN7 P35236 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32

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
SCHEMBL7512320 0.85 NMT2 (0.32) LMNAPOLBUSP2ALDH1A1MEN1
SCHEMBL8915668 0.75 HDAC6 (0.37) USP2HSD17B10HPGDALDH1A1MAPT
SCHEMBL7511671 0.73 HDAC6 (0.39) USP2HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL7512664 0.62 SLC10A2 (0.43) LMNAUSP2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7574883 0.61 PTGDR2 (0.40) USP2HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL6255214 0.56 TRPA1 (0.40) HSD17B10HPGDALDH1A1MAPTSMN1; SMN2
SCHEMBL7761107 0.54 TDP1 (0.63) LMNAALDH1A1SMN1; SMN2KDM4EKMT2A
SCHEMBL7136977 0.54 ALDH1A1 (0.60) LMNAHSD17B10HPGDALDH1A1KDM4E
SCHEMBL8949567 0.54 MAPT (0.69) LMNAPOLBHSD17B10HPGDALDH1A1
SCHEMBL8319524 0.53 SMN1; SMN2 (0.61) LMNAHPGDALDH1A1MAPTSMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0608565-B1 Pyridopyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-03-13 EP disclosed
US-5654309-A KIDNEY, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-08-05 US disclosed