SCHEMBL8897686

SCHEMBL8897686

O=C(O)c1cccc2cc3ccc(Cl)cc3c(C(=O)O)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CYP1A2 P05177 1/20 0.45
GLA P06280 1/20 0.45
CYP2C19 P33261 1/20 0.45
PTPN1 P18031 2/20 0.43
GRIK1 P39086 1/20 0.42
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
TSHR P16473 2/20 0.41
NR4A1 P22736 2/20 0.41
TP53 P04637 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL69796 0.83 ALDH1A1 (0.67) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL8896289 0.82 HSD17B10 (0.45) HSD17B10MEN1KMT2AALDH1A1KDM4E
Hydrochloric Acid SCHEMBL8854745 0.81 ALDH1A1 (0.65) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL9696015 0.81 HSD17B10 (0.58) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL9174392 0.80 HSD17B10 (0.47) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL11635421 0.80 MEN1 (0.72) HSD17B10MEN1KMT2AALDH1A1KDM4E
SCHEMBL23088115 0.79 NR4A1 (0.60) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6915686 0.78 NR4A1 (0.58) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6914514 0.78 NR4A1 (0.58) HSD17B10MEN1KMT2AALDH1A1HPGD
SCHEMBL6918016 0.78 NR4A1 (0.58) HSD17B10MEN1KMT2AALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635506-A ANTITUMOR AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-03 US disclosed
EP-0660824-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES (US) 1995-07-05 EP disclosed
WO-1994006771-A9 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS 1994-06-09 WO disclosed
WO-1994006771-A1 1,2 DIHYDRO-3-H-DIBENZ(de,h) ISOQUINOLINE 1,3 DIONE AND THEIR USE AS ANTICANCER AGENTS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1994-03-31 WO disclosed