SCHEMBL7309296

SCHEMBL7309296

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
TNF P01375 3/20 0.47
LMNA P02545 2/20 0.46
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
EGFR P00533 1/20 0.43
PSEN1 P49768 1/20 0.43
PSEN2 P49810 1/20 0.43
APH1B Q8WW43 1/20 0.43
NCSTN Q92542 1/20 0.43
APH1A Q96BI3 1/20 0.43

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
SCHEMBL7660613 0.86 ALDH1A1 (0.49) TDP1ALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7308089 0.84 TNF (0.62) HSD17B10TNFLMNAKDM4EGAA
SCHEMBL7301671 0.83 MAT2A (0.48) ALDH1A1HSD17B10KDM4EGAAHPGD
SCHEMBL7026263 0.79 ALDH1A1 (0.48) TDP1ALDH1A1LMNAKDM4EL3MBTL1
SCHEMBL7300323 0.79 HSD17B10 (0.48) ALDH1A1ALOX15TSHRHSD17B10TNF
SCHEMBL7651696 0.78 MAT2A (0.44) MAT2A
SCHEMBL7309368 0.78 MAT2A (0.44) ALDH1A1HPGDMAT2A
SCHEMBL7302539 0.77 MAT2A (0.44) MAT2A
SCHEMBL10487968 0.77 ALDH1A1 (0.52) TDP1ALDH1A1ALOX15TSHRHSD17B10
SCHEMBL8432918 0.76 CBX7 (0.47) ALDH1A1LMNAKDM4EEGFRMAT2A

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-0481342-A1 Quinazoline derivatives and their preparation FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-04-22 EP disclosed