SCHEMBL28367241

SCHEMBL28367241

O=Cc1ccc(N2CCN(CCO)CC2)cc1.OCCN1CCN(c2ccc(C=Cc3ccncc3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP17A1 P05093 4/20 0.43
CYP21A2 P08686 4/20 0.43
CYP11B1 P15538 4/20 0.43
DRD2 P14416 1/20 0.43
CYP3A4 P08684 2/20 0.42
CYP19A1 P11511 2/20 0.42

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
SCHEMBL28367239 1.00 ALDH1A1 (0.49) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL8779336 0.88 ALDH1A1 (0.62) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL19601373 0.79 ALDH1A1 (0.58) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL7958672 0.79 TRIM24 (0.66) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL23922755 0.77 POLB (0.63) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL9354477 0.75 ALDH1A1 (0.53) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL19601242 0.72 ALDH1A1 (0.57) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL1983610 0.72 ALDH1A1 (0.60) ALDH1A1TRIM24TRIM33KDM4ESMN1; SMN2
SCHEMBL13347434 0.72 NPC1 (0.55) ALDH1A1KDM4ESMN1; SMN2CYP3A4
SCHEMBL2561698 0.72 TRIM24 (0.83) ALDH1A1TRIM24TRIM33KDM4ESMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110702653-B Application of aggregation-induced fluorescence probe in fingerprint fluorescence imaging 华中科技大学 2020-11-24 CN disclosed
CN-110702653-A Application of aggregation-induced fluorescence probe in fingerprint fluorescence imaging 华中科技大学 2020-01-17 CN disclosed