SCHEMBL31716014

SCHEMBL31716014

COc1cc(N)c(C#N)cc1SC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
AR P10275 7/20 0.38
ALOX15 P16050 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
RECQL P46063 1/20 0.35
MDM2 Q00987 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL82833 0.81 ALDH1A1 (0.55) ALDH1A1KDM4EUSP2ARL3MBTL1
SCHEMBL5651191 0.77 ALDH1A1 (0.54) ALDH1A1ALOX15L3MBTL1MAPTATM
SCHEMBL1708651 0.75 KDM4E (0.49) ALDH1A1KDM4EUSP2L3MBTL1MAPT
SCHEMBL11153594 0.75 NPC1 (0.60) ALDH1A1KDM4EUSP2MAPTGAA
SCHEMBL27118917 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2ARL3MBTL1
SCHEMBL13720176 0.75 KDM4E (0.49) ALDH1A1KDM4EUSP2ARALOX15
SCHEMBL21996461 0.75 ALDH1A1 (0.49) ALDH1A1KDM4EUSP2ARL3MBTL1
SCHEMBL1511834 0.74 ALDH1A1 (0.60) ALDH1A1KDM4EUSP2ARNPC1
SCHEMBL31716937 0.73 MAPT (0.43) ALDH1A1KDM4EALOX15L3MBTL1MAPT
SCHEMBL11369230 0.73 USP2 (0.42) ALDH1A1KDM4EUSP2ALOX15L3MBTL1

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-2025227032-A1 METHODS FOR DEGRADATION OF CYCLIN K AND INHIBITION OF CYCLIN DEPENDENT KINASES REMIX THERAPEUTICS INC. (US) 2025-10-30 WO disclosed