SCHEMBL25527232

SCHEMBL25527232

COc1nc(SC)ncc1C=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ PDE4B Q07343 3/20 0.34
▸ NTRK1 P04629 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ FGFR4 P22455 2/20 0.33
▸ TSHR P16473 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ LMNA P02545 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
SCHEMBL6617989 0.83 ALDH1A1 (0.47) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL6620402 0.79 NPC1 (0.43) MEN1KMT2AALDH1A1L3MBTL1MAPT
SCHEMBL10811677 0.78 AHR (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL1904655 0.77 QPCT (0.39) KDM4EMEN1KMT2AALDH1A1PRKDC
SCHEMBL15584575 0.76 PPARG (0.51) ALDH1A1L3MBTL1MAPTNTRK1TDP1
SCHEMBL17034341 0.76 KMT2A (0.46) KDM4EMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4791279 0.75 MAPT (0.43) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL13736042 0.75 NUDT1 (0.39) KDM4EKMT2AALDH1A1TSHRTDP1
SCHEMBL1168107 0.75 MEN1 (0.38) KDM4EMEN1KMT2AALDH1A1MAPT
SCHEMBL8580981 0.75 ALDH1A1 (0.49) KDM4EALDH1A1TSHRTDP1

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-2023091726-A1 INHIBITORS OF CYCLIN‑DEPENDENT KINASE 12 (CDK12) SYROS PHARMACEUTICALS, INC. (US) 2023-05-25 — — WO disclosed
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