SCHEMBL31444033

SCHEMBL31444033

Nc1ccc(Br)c(OS(=O)(=O)F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.35
▸ TSHR P16473 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ CA2 P00918 7/20 0.35
▸ CA1 P00915 4/20 0.33
▸ CA9 Q16790 4/20 0.33
▸ CA12 O43570 3/20 0.33
▸ CA4 P22748 3/20 0.33
▸ CA14 Q9ULX7 3/20 0.33
▸ MAPT P10636 3/20 0.33
▸ CA6 P23280 2/20 0.33
▸ CA5A P35218 2/20 0.33
▸ CA7 P43166 2/20 0.33

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
SCHEMBL31444093 0.73 ALDH1A1 (0.40) ELANEALDH1A1HPGDCA2MAPT
SCHEMBL31444250 0.72 ELANE (0.59) ELANEALDH1A1HPGDCA2CA1
SCHEMBL109131 0.70 MAPT (0.55) ALDH1A1TSHRMAPTUSP2TDP1
SCHEMBL325072 0.69 GAA (0.36) ALDH1A1TSHRCYP3A4ALOX15HSD17B10
SCHEMBL16899381 0.69 MBOAT4 (0.39) ALDH1A1TSHRHPGDALOX15MAPT
Hydrochloric Acid SCHEMBL27573628 0.68 MAPT (0.53) ALDH1A1TSHRCYP3A4THRBMAPT
SCHEMBL17129828 0.67 CA2 (0.48) ALDH1A1TSHRCYP3A4CA2CA1
SCHEMBL31618975 0.67 L3MBTL1 (0.42) ALDH1A1TSHRHPGDCYP3A4THRB
SCHEMBL31618990 0.67 L3MBTL1 (0.42) ALDH1A1TSHRHPGDCYP3A4THRB
SCHEMBL18532777 0.67 ELANE (0.47) ELANECA2CA1CA4CA6

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-2025096856-A1 COVALENT CEREBLON LIGANDS C4 THERAPEUTICS, INC. (US) 2025-05-08 — — WO disclosed
Send feedback