SCHEMBL31469754

SCHEMBL31469754

CCOC(=O)c1ccsc1NC(=O)CC#N

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
ALDH1A1 P00352 3/20 0.50
USP2 O75604 2/20 0.50
RAB9A P51151 4/20 0.47
NPC1 O15118 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
NR2F2 P24468 1/20 0.47
NTSR1 P30989 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45

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
SCHEMBL31469807 0.87 KDM4E (0.61) MEN1KMT2AALDH1A1USP2RAB9A
SCHEMBL11638233 0.82 PTK2 (0.59) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL15440489 0.81 HPGD (0.53) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5919129 0.81 ALDH1A1 (0.55) MEN1KMT2AALDH1A1USP2MAPT
SCHEMBL9396580 0.80 MEN1 (0.48) MEN1KMT2AALDH1A1USP2RAB9A
SCHEMBL9398335 0.79 PKM (0.47) MEN1KMT2AALDH1A1USP2RAB9A
SCHEMBL6643211 0.78 ALDH1A1 (0.53) MEN1KMT2AALDH1A1USP2RAB9A
SCHEMBL27414343 0.78 MAPK8 (0.71) RAB9ANPC1MAPTMAPK8MAPK9
SCHEMBL3798512 0.78 RPS6KB1 (0.52) MEN1KMT2AALDH1A1USP2RAB9A
SCHEMBL34468523 0.76 MAPT (0.52) MEN1KMT2AALDH1A1RAB9ANPC1

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-2025030002-A2 DGK TARGETING COMPOUNDS AND USES THEREOF ARVINAS OPERATIONS, INC. (US) 2025-02-06 WO disclosed