SCHEMBL31374459

SCHEMBL31374459

CCOC(=O)CC(=O)c1ccnc(SC)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCOA1 Q15788 1/20 0.44
NCOA3 Q9Y6Q9 1/20 0.44
SYK P43405 2/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
FKBP4 Q02790 1/20 0.39
FKBP5 Q13451 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.38
ALOX15 P16050 1/20 0.38
PKM P14618 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL26113629 1.00 NCOA1 (0.44) NCOA1NCOA3SYKALDH1A1POLB
SCHEMBL26515004 0.89 MAPT (0.42) NCOA1NCOA3SYKALDH1A1POLB
SCHEMBL13279457 0.86 ALDH1A1 (0.40) SYKALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL6989832 0.82 CYP1A2 (0.56) SYKALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL3877903 0.82 ALOX15 (0.35) ALDH1A1KMT2AALOX15KDM4E
SCHEMBL13914335 0.81 ACACB (0.35) SYKALDH1A1POLBTDP1SMN1; SMN2
SCHEMBL5269285 0.79 ACACB (0.37) ALDH1A1POLBSMN1; SMN2KMT2ANPC1
SCHEMBL26512559 0.79 ALOX15 (0.36) NCOA1NCOA3ALDH1A1SMN1; SMN2MEN1
SCHEMBL3879118 0.78 KMT2A (0.40) NCOA1NCOA3SYKALDH1A1POLB
SCHEMBL31422596 0.77 KMT2A (0.43) NCOA1NCOA3SYKALDH1A1POLB

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
CN-119137102-A CDK9 inhibitors 拜奥列司治疗有限公司 2024-12-13 CN disclosed