SCHEMBL24969210

SCHEMBL24969210

CC1(C)c2ccc(Nc3ccccc3-c3ccccc3)cc2-c2c(-c3cccc4oc5ccccc5c34)cccc21

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.32
▸ CDC25B P30305 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ EPHX2 P34913 1/20 0.30

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
SCHEMBL24969651 0.93 AKR1C3 (0.35) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23372604 0.86 ALDH1A1 (0.33) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23372606 0.86 ALDH1A1 (0.33) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23372928 0.84 AKR1C3 (0.35) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL23637318 0.84 WEE1 (0.32) AKR1C3ALDH1A1
SCHEMBL23372699 0.84 PDK2 (0.36) ALDH1A1MAPTHPGDRAB9AEPHX2
SCHEMBL21790963 0.83 WEE1 (0.33) CDC25BALDH1A1HPGDRAB9A
SCHEMBL23372589 0.83 ALDH1A1 (0.36) ALDH1A1HPGDRAB9A
SCHEMBL21095299 0.82 ALDH1A1 (0.35) AKR1C3ALDH1A1MAPTHPGDRAB9A
SCHEMBL24969719 0.82 AKR1C3 (0.36) AKR1C3ALDH1A1MAPTHPGDRAB9A

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
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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