SCHEMBL23168668

SCHEMBL23168668

c1ccc(-c2ccc(-c3ccc(Nc4cc5oc6ccccc6c5c5ccccc45)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 2/20 0.46
▸ AKR1C3 P42330 4/20 0.44
▸ HPGD P15428 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.40
▸ HTT P42858 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PLA2G2A P14555 2/20 0.38
▸ PLA2G4A P47712 2/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ ABCB1 P08183 2/20 0.36
▸ ABCG2 Q9UNQ0 2/20 0.36

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
SCHEMBL23423897 1.00 EPHX2 (0.46) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL23633538 0.91 KDM4E (0.48) HPGDRAB9AALDH1A1KDM4EHTT
SCHEMBL18646349 0.87 MEN1 (0.50) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL23423870 0.85 ALDH1A1 (0.37) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL23423875 0.85 ALDH1A1 (0.37) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL31123336 0.85 ABCG2 (0.45) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL21819786 0.85 ABCG2 (0.45) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL23168681 0.84 ALDH1A1 (0.41) HPGDRAB9AALDH1A1KDM4EHTT
SCHEMBL22523683 0.83 AKR1C3 (0.57) EPHX2AKR1C3HPGDRAB9AALDH1A1
SCHEMBL17816623 0.83 AKR1C3 (0.57) EPHX2AKR1C3HPGDRAB9AALDH1A1

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-2021060723-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2021-04-01 — — WO disclosed
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