SCHEMBL7301671

SCHEMBL7301671

O=C(O)CCCn1c(=O)[nH]c(=O)c2ccc(Cl)cc21

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAT2A P31153 1/20 0.48
KDM4E B2RXH2 4/20 0.48
HSD17B10 Q99714 2/20 0.48
MAPK1 P28482 1/20 0.48
KMO O15229 4/20 0.47
GAA P10253 2/20 0.46
HPGD P15428 2/20 0.46
FABP4 P15090 1/20 0.43
FABP5 Q01469 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42
GPR17 Q13304 1/20 0.42
OXER1 Q8TDS5 1/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 1/20 0.42
BCL2L1 Q07817 1/20 0.42
MCL1 Q07820 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TYMP P19971 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
SCHEMBL7299674 0.90 KDM4E (0.48) KDM4EHSD17B10MAPK1KMOGAA
SCHEMBL7309368 0.84 MAT2A (0.44) MAT2AHPGDHDAC6ALDH1A1TYMP
SCHEMBL8046411 0.84 MAT2A (0.52) MAT2AKMOHDAC6MCL1
SCHEMBL7309296 0.83 TDP1 (0.47) MAT2AKDM4EHSD17B10GAAHPGD
SCHEMBL7302539 0.83 MAT2A (0.44) MAT2ATYMP
SCHEMBL7651696 0.82 MAT2A (0.44) MAT2AHDAC6TYMP
SCHEMBL7300140 0.81 FABP4 (0.68) KDM4EHSD17B10MAPK1HPGDFABP4
SCHEMBL7026263 0.78 ALDH1A1 (0.48) MAT2AKDM4EHDAC6ALDH1A1BCL2L1
SCHEMBL16147632 0.75 FABP4 (0.61) KMOFABP4FABP5OXER1
SCHEMBL8432918 0.74 CBX7 (0.47) MAT2AKDM4EHDAC6ALDH1A1

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
US-5304560-A Treating CNS disorders; dopamine receptor antagonist FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-04-19 US disclosed
EP-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed