SCHEMBL28095231

SCHEMBL28095231

COC(=O)c1ccc(-c2ccc3c(C(=O)O)c4ccccc4nc3c2)c(C)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
DHODH Q02127 6/20 0.45
KDM4E B2RXH2 5/20 0.45
PDE10A Q9Y233 3/20 0.44
TSHR P16473 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
PLIN1 O60240 1/20 0.42
LMNA P02545 1/20 0.42
GLA P06280 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 1/20 0.42
PLIN5 Q00G26 1/20 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
SCHEMBL5134325 0.75 CA12 (0.43) KMT2AMEN1DHODHKDM4EALDH1A1
SCHEMBL5703391 0.71 PDE10A (0.58) KMT2AMEN1DHODHKDM4EPDE10A
SCHEMBL4012935 0.71 SMN1; SMN2 (0.54) KMT2AMEN1DHODHKDM4EPDE10A
SCHEMBL38662586 0.70 MEN1 (0.71) KMT2AMEN1KDM4EPDE10ATSHR
SCHEMBL2443270 0.70 MEN1 (0.71) KMT2AMEN1KDM4EPDE10ATSHR
SCHEMBL6584881 0.70 KDM4E (0.56) KMT2AMEN1KDM4EPDE10ASMN1; SMN2
SCHEMBL4012934 0.69 KMT2A (0.54) KMT2AMEN1KDM4EPDE10ATSHR
Hydrochloric Acid SCHEMBL7531424 0.69 KDM4E (0.54) KMT2AMEN1KDM4EPDE10ASMN1; SMN2
SCHEMBL7104600 0.69 MEN1 (0.57) KMT2AMEN1KDM4ESMN1; SMN2ALDH1A1
SCHEMBL641899 0.68 PDE10A (0.66) KMT2AMEN1DHODHKDM4EPDE10A

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
CN-101918367-B Acridine compounds Facile N-alkylation in ionic liquid 西门子医疗保健诊断公司 2016-08-24 CN disclosed