SCHEMBL21394589

SCHEMBL21394589

CC1=NN(C(C)C)C(=O)CC1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.67
TDP1 Q9NUW8 1/20 0.67
POLB P06746 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL8260642 0.80 GAA (1.00) GAATDP1CA1CA2CA9
SCHEMBL21384226 0.72 GAA (0.44) GAATDP1POLBCA12CA1
SCHEMBL2755792 0.70
SCHEMBL15038570 0.68
SCHEMBL11242820 0.67 HRH3 (0.46) GAATDP1HRH3
SCHEMBL12932817 0.65 GAA (0.41) GAATDP1
SCHEMBL20284268 0.64 GAA (0.59) GAATDP1
SCHEMBL12299952 0.64 GAA (0.39) GAATDP1
SCHEMBL21500442 0.63 GAA (0.39) GAATDP1
SCHEMBL1698550 0.63 SMN1; SMN2 (0.41) GAATDP1

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
WO-2020198026-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2020-10-01 WO disclosed
WO-2019183587-A1 COMPOUNDS AND USES THEREOF YUMANITY THERAPEUTICS, INC. (US) 2019-09-26 WO disclosed