SCHEMBL21816546

SCHEMBL21816546

COc1ccc(-n2c(SCCCN3Cc4cccc5cccc(c45)C3)nnc2-c2ccncc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS2 Q9H2K2 8/20 0.71
▸ TNKS O95271 4/20 0.51
▸ MAPT P10636 3/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ THRB P10828 1/20 0.51
▸ TP53 P04637 3/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2D6 P10635 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ SULT2A1 Q06520 1/20 0.49
▸ NR5A1 Q13285 1/20 0.49
▸ AXIN2 Q9Y2T1 1/20 0.49
▸ DRD3 P35462 1/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ KMT2A Q03164 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MAPK1 P28482 1/20 0.45
▸ HDAC3 O15379 1/20 0.45
▸ PTK2 Q05397 1/20 0.45

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
SCHEMBL17189791 0.83 TNKS2 (1.00) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL29495940 0.83 TNKS2 (1.00) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL11919933 0.72 ALDH1A1 (0.58) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL6403463 0.72 CYP3A4 (0.73) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL11919912 0.71 TNKS2 (0.58) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL6192012 0.69 ALPG (0.69) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL11919930 0.69 TNKS2 (0.67) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL11919900 0.68 TNKS2 (0.83) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL11919908 0.67 NPSR1 (0.90) TNKS2TNKSMAPTSMN1; SMN2THRB
SCHEMBL16010756 0.67 TNKS2 (1.00) TNKS2TNKSMAPTSMN1; SMN2THRB

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-2020068665-A1 USE OF COLLAGEN BINDING DOMAINS TO DELIVER PRODUCTS TO SKIN FABIUS BIOTECHNOLOGY (US) 2020-04-02 — — WO disclosed
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