SCHEMBL8424992

SCHEMBL8424992

Brc1ccc[n+](CB(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.41
▸ HDAC8 Q9BY41 1/20 0.39
▸ GGPS1 O95749 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ LMNA P02545 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PABPC1 P11940 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MEN1 O00255 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
SCHEMBL8429196 0.79 PABPC1 (0.50) KMT2AGGPS1ALDH1A1LMNAHTT
SCHEMBL8630008 0.70 GGPS1 (0.41) KMT2AGGPS1MEN1
SCHEMBL8427394 0.68 SLC22A2 (0.43) KMT2AALDH1A1LMNAHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL29703841 0.67 HDAC8 (0.43) KMT2AHDAC8GGPS1ALDH1A1LMNA
Hydrochloric Acid SCHEMBL23273625 0.67 HDAC8 (0.43) KMT2AHDAC8GGPS1ALDH1A1LMNA
SCHEMBL8628348 0.67 TP53 (0.33) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL13180500 0.66 — —
Hydrochloric Acid SCHEMBL29703824 0.65 HDAC8 (0.42) KMT2AHDAC8GGPS1ALDH1A1LMNA
SCHEMBL4298830 0.63 CNR2 (0.32) ALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL8427288 0.63 BCHE (0.53) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958900-A Use of organoboron compounds as antifouling agents AMERICAN CYANAMID COMPANY (US) 1999-09-28 — — US claimed
WO-1997042823-A1 USE OF ORGANOBORON COMPOUNDS AS ANTIFOULING AGENTS AMERICAN CYANAMID COMPANY (US) 1997-11-20 — — WO claimed
US-5958900-A Use of organoboron compounds as antifouling agents AMERICAN CYANAMID COMPANY (US) 1999-09-28 — — US disclosed
EP-0624315-B1 Diaryl(pyridinio and isoquinolinio) boron fungicidal agents AMERICAN CYANAMID CO (US) 1998-07-01 — — EP disclosed
WO-1997042823-A1 USE OF ORGANOBORON COMPOUNDS AS ANTIFOULING AGENTS AMERICAN CYANAMID COMPANY (US) 1997-11-20 — — WO disclosed
EP-0624315-A1 Diaryl(pyridinio and isoquinolinio) boron fungicidal agents AMERICAN CYANAMID COMPANY (US) 1994-11-17 — — EP disclosed
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