SCHEMBL25668129

SCHEMBL25668129

c1ccc(-c2nc3ccccc3n2-c2c3ccccc3c(-c3c4ccccc4c(-c4ccc5ccccc5c4)c4ccccc34)c3ccccc23)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.45
ESR2 Q92731 3/20 0.45
ALDH1A1 P00352 4/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPK10 P53779 6/20 0.43
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
HSP90AA1 P07900 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GRIA1 P42261 1/20 0.39
CACNG8 Q8WXS5 1/20 0.39
CACNG2 Q9Y698 1/20 0.39
GAA P10253 1/20 0.38
PDE6D O43924 1/20 0.38
ALDH2 P05091 1/20 0.38
ALDH3A1 P30838 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL24810864 0.99 ESR1 (0.46) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL13015684 0.90 ESR1 (0.45) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL8780624 0.90 ESR1 (0.41) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL24813314 0.89 MAPK10 (0.44) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL18999478 0.88 ESR1 (0.54) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL124880 0.88 ESR1 (0.58) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL29511658 0.88 ESR1 (0.58) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL26344978 0.87 ESR1 (0.51) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL1638429 0.87 ESR1 (0.54) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL24810867 0.86 ESR1 (0.56) ESR1ESR2ALDH1A1HPGDKDM4E

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-20230209998-A1 ORGANIC ELECTROLUMINESCENCE DEVICE, AND ELECTRONIC APPARATUS IDEMITSU KOSAN CO.,LTD. (JP) 2023-06-29 US disclosed