SCHEMBL11233336

SCHEMBL11233336

Cc1ccc(S(=O)(=O)O)cc1N1CCN=C1CNc1ccc(Cl)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.41
▸ HTT P42858 1/20 0.41
▸ LMNA P02545 5/20 0.38
▸ TP53 P04637 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ PTGS2 P35354 1/20 0.36
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SCN5A Q14524 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ FLT1 P17948 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ KDR P35968 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ ADRA2C P18825 1/20 0.35
▸ ADRA1D P25100 1/20 0.35
▸ ADRA1A P35348 1/20 0.35
▸ ADRA1B P35368 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35

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
SCHEMBL11232306 0.89 KMT2A (0.40) MAPTLMNATP53PTGS2GAA
SCHEMBL11252783 0.73 PTGS2 (0.39) MAPTLMNATP53PTGS2SMN1; SMN2
SCHEMBL11263728 0.72 ALDH1A1 (0.37) MAPTLMNATHRBPTGS2GAA
SCHEMBL11233332 0.70 ADRA1A (0.61) ADRA2AADRA2CADRA1DADRA1AADRA1B
SCHEMBL11255922 0.67 ALDH1A1 (0.37) MAPTALDH1A1
SCHEMBL11267568 0.65 HTR2C (0.39) GAA
SCHEMBL10574941 0.62 FLT1 (0.47) MAPTHTTPTGS2FLT1FLT4
SCHEMBL31531993 0.61 FLT1 (0.50) MAPTLMNATHRBPTGS2SMN1; SMN2
SCHEMBL3386873 0.61 FLT1 (0.50) MAPTLMNATHRBPTGS2SMN1; SMN2
SCHEMBL11267634 0.60 ALDH1A1 (0.43) MAPTHTTLMNAGAASMN1; SMN2

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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