SCHEMBL11232306

SCHEMBL11232306

Cc1ccc(S(=O)(=O)O)cc1N1CCN=C1CNc1ccccc1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA4 P22748 1/20 0.38
▸ CA7 P43166 1/20 0.38
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ MAPT P10636 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 1/20 0.36
▸ TP53 P04637 1/20 0.36
▸ CASP6 P55212 1/20 0.35
▸ PTGS2 P35354 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ GFER P55789 1/20 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
SCHEMBL11233336 0.89 MAPT (0.41) KMT2ALMNAADRA2CMAPTALDH1A1
SCHEMBL11252783 0.74 PTGS2 (0.39) KMT2ALMNAMAPTALDH1A1TP53
SCHEMBL11263728 0.73 ALDH1A1 (0.37) KMT2ALMNAPKMCA1CA2
SCHEMBL11232303 0.68 ADRA2C (0.68) ADRA2BADRA2C
SCHEMBL11255922 0.68 ALDH1A1 (0.37) MAPTALDH1A1
SCHEMBL11267568 0.67 HTR2C (0.39) GAA
SCHEMBL11180678 0.67 ADRA2B (0.46) KMT2ALMNAADRA2BADRA2CMAPT
SCHEMBL11473474 0.65 FAAH (0.43) KMT2ALMNAPKMADRA2BADRA2C
SCHEMBL11180683 0.64 ADRA2B (0.46) KMT2ALMNAADRA2BADRA2CMAPT
SCHEMBL3386873 0.62 FLT1 (0.50) KMT2ALMNAPKMCA2MAPT

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
US-4343810-A Method of inhibiting sickling of sickle erythrocytes using 2-((haloanilino)methyl)-2-imidazolines THE DOW CHEMICAL COMPANY (US) 1982-08-10 — — US disclosed
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