SCHEMBL9520802

SCHEMBL9520802

CSc1ncccc1CN(C)C(=O)N(C)S

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.41
L3MBTL1 Q9Y468 4/20 0.41
ALDH1A1 P00352 3/20 0.41
CASP3 P42574 2/20 0.41
SENP8 Q96LD8 2/20 0.41
SENP7 Q9BQF6 2/20 0.41
SENP6 Q9GZR1 2/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 2/20 0.41
HTT P42858 1/20 0.41
NPC1 O15118 1/20 0.41
GLA P06280 1/20 0.41
TDP1 Q9NUW8 2/20 0.40
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.37
ATM Q13315 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL7668277 0.75 KMT2A (0.38) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL7660312 0.75 TDP1 (0.40) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL12578617 0.74 L3MBTL1 (0.43) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL11982126 0.71 L3MBTL1 (0.46) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL7672046 0.70 L3MBTL1 (0.36) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL1845718 0.70 L3MBTL1 (0.44) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL4065887 0.70 KMT2A (0.47) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL7668271 0.69 KMT2A (0.43) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL19323878 0.68 KMT2A (0.56) KMT2AL3MBTL1ALDH1A1CASP3SENP8
SCHEMBL247545 0.67 ALDH1A1 (0.48) KMT2AL3MBTL1ALDH1A1CASP3SENP8

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
EP-0302389-B1 Alpha-unsaturated amines, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1993-12-22 EP disclosed
EP-0302389-A2 Alpha-unsaturated amines, their production and use Takeda Chemical Industries, Ltd. (JP) 1989-02-08 EP disclosed