SCHEMBL31035488

SCHEMBL31035488

O=Cc1ccc(Br)cc1B(O)O

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.53
CYP2A6 P11509 3/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
PTPN1 P18031 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TYR P14679 2/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 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
SCHEMBL7996644 0.86 ERN1 (0.38) ERN1CYP2A6PTGDR2CA1CA2
SCHEMBL15430114 0.83 ERN1 (0.59) ERN1CYP2A6PTGDR2PTPN1CA1
SCHEMBL20607770 0.77 TYR (0.46) ERN1TYRTRIM24TRIM33
SCHEMBL3784501 0.77 KDM4E (0.50) CYP2A6TSHRALDH1A1TYRTRIM24
SCHEMBL29951345 0.77 SRC (0.46) ERN1CYP2A6CA2TSHRALDH1A1
SCHEMBL14797280 0.77 SRC (0.46) ERN1CYP2A6CA2TSHRALDH1A1
SCHEMBL380410 0.75 TDP1 (0.57) ERN1PTPN1ALDH1A1TYRTRIM24
SCHEMBL31502405 0.75 KDM4E (0.43) ERN1PTPN1ALDH1A1TYRTRIM24
SCHEMBL14697059 0.75 KDM4E (0.43) ERN1PTPN1ALDH1A1TYRTRIM24
SCHEMBL8715929 0.75 TSHR (0.46) ERN1CYP2A6CA1CA2TSHR

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
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed