SCHEMBL28984685

SCHEMBL28984685

Brc1ccccc1B(c1ccccc1)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ ORAI1 Q96D31 2/20 0.36
▸ ORAI2 Q96SN7 2/20 0.36
▸ ORAI3 Q9BRQ5 2/20 0.36
▸ TRPV6 Q9H1D0 2/20 0.36
▸ CA4 P22748 2/20 0.36
▸ CA6 P23280 2/20 0.36
▸ BBOX1 O75936 1/20 0.36
▸ EHMT2 Q96KQ7 1/20 0.36
▸ EHMT1 Q9H9B1 1/20 0.36
▸ CA5A P35218 1/20 0.36
▸ CA7 P43166 1/20 0.36
▸ ENPP2 Q13822 1/20 0.36
▸ CA14 Q9ULX7 1/20 0.36
▸ CA5B Q9Y2D0 1/20 0.36
▸ PCSK9 Q8NBP7 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ CA1 P00915 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
SCHEMBL22036471 0.81 TRPV6 (0.45) ALDH1A1MAPK1ORAI1ORAI2ORAI3
SCHEMBL125450 0.71 TRPV6 (0.53) ALDH1A1MAPK1ORAI1ORAI2ORAI3
SCHEMBL27830612 0.70 ALDH1A1 (0.43) ALDH1A1ORAI1ORAI2ORAI3TRPV6
SCHEMBL187782 0.70 TSHR (0.43) ALDH1A1ORAI1ORAI2ORAI3TRPV6
SCHEMBL1264489 0.70 NFE2L2 (0.39) ALDH1A1MAPK1ORAI1ORAI2ORAI3
SCHEMBL17236453 0.69 ALDH1A1 (0.38) ALDH1A1MAPK1CA4CA6CA5A
SCHEMBL30546648 0.69 ENPP2 (0.46) ALDH1A1MAPK1ORAI1ORAI2ORAI3
SCHEMBL15661854 0.69 ALDH1A1 (0.53) ALDH1A1MAPK1ORAI1ORAI2ORAI3
SCHEMBL150114 0.69 ENPP2 (0.46) ALDH1A1MAPK1ORAI1ORAI2ORAI3
Ammonia Solution, Strong SCHEMBL475909 0.68 TRPV6 (0.50) ALDH1A1MAPK1ORAI1ORAI2ORAI3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110818652-B Organic luminescent material containing aryl ester derivative, preparation method and application thereof 上海和辉光电股份有限公司 2023-08-22 — — CN disclosed
CN-111057084-B Sky blue photo-thermal activation delayed fluorescence material and preparation method and application thereof 广东工业大学 2023-04-11 — — CN disclosed
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