SCHEMBL9622882

SCHEMBL9622882

COc1ccc2[nH]c3ccc4c(c3c2c1)C(=O)N(CCO)C4=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 7/20 0.47
MAPT P10636 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
APEX1 P27695 1/20 0.47
PDGFRB P09619 1/20 0.45
RAB9A P51151 2/20 0.45
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 2/20 0.44
TSHR P16473 1/20 0.44
GFER P55789 1/20 0.44
CHEK1 O14757 3/20 0.44
WEE1 P30291 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 2/20 0.44
ROCK2 O75116 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
NPSR1 Q6W5P4 2/20 0.42

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
SCHEMBL9622455 0.89 MEN1 (0.46) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9623034 0.87 TERT (0.47) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9623204 0.83 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTTDP1
Bromide SCHEMBL9623289 0.82 ALDH1A1 (0.45) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL5828276 0.81 PARP1 (0.51) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9622903 0.76 PDGFRB (0.45) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9623031 0.74 PDGFRB (0.50) MEN1KMT2AALDH1A1MAPTTDP1
SCHEMBL9623078 0.73 TERT (0.47) ALDH1A1TDP1KDM4EHPGDMPO
SCHEMBL29351752 0.73 TERT (0.47) ALDH1A1TDP1KDM4EHPGDMPO
Hydrochloric Acid SCHEMBL9623220 0.73 PDGFRB (0.49) MEN1KMT2AALDH1A1MAPTTDP1

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
US-5166204-A ISOINDOLE DERIVATIVES AND SALTS THEREOF AND ANTITUMOR AGENT COMPRISING THE SAME TOYAMA CHEMICAL CO., LTD. (JP) 1992-11-24 US disclosed