SCHEMBL28452508

SCHEMBL28452508

Cc1ccc(S(=O)(=O)NCCC#Cc2cc(C)ccc2N)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ MEN1 O00255 2/20 0.47
▸ CA12 O43570 2/20 0.44
▸ CA2 P00918 2/20 0.44
▸ CA9 Q16790 2/20 0.44
▸ LMNA P02545 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ GBA1 P04062 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ CYP19A1 P11511 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL28463579 0.87 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL28450118 0.85 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL28461694 0.80 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL28529020 0.76 MMP2 (0.54) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL28530379 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL20512270 0.74 ALDH1A1 (0.55) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL18371679 0.72 ALDH1A1 (0.65) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL5567042 0.72 ALDH1A1 (0.75) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL6020322 0.71 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1CA12CA2
SCHEMBL20512257 0.71 ALDH1A1 (0.60) ALDH1A1KMT2AMEN1CA12CA2

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
CN-108299423-B Synthesis method of dihydropyrrolo-2-aminoquinoline compound 华南理工大学 2020-09-22 — — CN disclosed
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