SCHEMBL21784462

SCHEMBL21784462

CC(C)(C)OC(=O)NS(=O)(=O)N1CC(CC#N)(N2CCCOCCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSL P07711 3/20 0.40
CTSB P07858 3/20 0.40
CTSD P07339 2/20 0.40
CTSS P25774 2/20 0.40
KDM1A O60341 9/20 0.35
JAK2 O60674 7/20 0.34
JAK1 P23458 7/20 0.34
L3MBTL1 Q9Y468 1/20 0.31
CTSK P43235 1/20 0.31

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
SCHEMBL21784420 0.85 KDM1A (0.41) KDM1ACTSK
SCHEMBL21775398 0.84 KDM1A (0.37) KDM1AJAK2JAK1
SCHEMBL21784391 0.79 KDM1A (0.38) CTSSKDM1AJAK2JAK1CTSK
SCHEMBL21788630 0.73 KDM1A (0.73) KDM1A
SCHEMBL21784346 0.73 KDM1A (0.73) KDM1A
SCHEMBL21784461 0.73 KDM1A (0.73) KDM1A
SCHEMBL21784385 0.73 KDM1A (0.73) KDM1A
SCHEMBL4177994 0.73 SMN1; SMN2 (0.47) CTSLCTSBCTSDCTSSCTSK
SCHEMBL19953558 0.72 USP2 (0.52) CTSLCTSBCTSDCTSSJAK2
SCHEMBL22504807 0.69 CA12 (0.37) CTSLCTSBCTSDCTSSL3MBTL1

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-2020047198-A1 SALTS OF AN LSD1 INHIBITOR AND PROCESSES FOR PREPARING THE SAME INCYTE CORPORATION (US) 2020-03-05 WO disclosed