SCHEMBL29152147

SCHEMBL29152147

COc1cc2c(C#N)c3cc(OC)c(OC)cc3c(-c3ccccc3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ADORA2A P29274 7/20 0.46
ADORA1 P30542 7/20 0.46
SQOR Q9Y6N5 1/20 0.45
MAPT P10636 5/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HTT P42858 3/20 0.44
HSD17B10 Q99714 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 2/20 0.43
MAP2K1 Q02750 1/20 0.42
TSHR P16473 2/20 0.42
USP2 O75604 1/20 0.42
ALOX15 P16050 1/20 0.42
RECQL P46063 1/20 0.42
MAOA P21397 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
SCHEMBL5599610 0.86 WHR1 (0.50) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL29152135 0.81 ALDH1A1 (0.45) KDM4EADORA2AMAPTHPGDALDH1A1
SCHEMBL29152125 0.78 ADORA1 (0.41) KDM4EADORA1MAPTALDH1A1SMN1; SMN2
SCHEMBL30662420 0.78 ADORA2A (0.50) KDM4EADORA2AADORA1MAPTHPGD
SCHEMBL27470171 0.76 ADORA2A (0.58) KDM4EADORA2AADORA1SQORMAPT
SCHEMBL30662417 0.76 HSP90AA1 (0.47) KDM4ESQORMAPTHPGDALDH1A1
SCHEMBL30662426 0.74 ADORA2A (0.52) KDM4EADORA2AADORA1MAPTHPGD
SCHEMBL4592071 0.74 PDE3B (0.49) KDM4EMAPTHPGDALDH1A1SMN1; SMN2
SCHEMBL29152127 0.74 ALDH1A1 (0.54) KDM4EADORA2AADORA1SQORMAPT
SCHEMBL30662430 0.73 MAPT (0.44) KDM4EMAPTHPGDALDH1A1SMN1; SMN2

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-117164478-A Method for preparing anthracycline derivative 苏州大学 2023-12-05 CN disclosed