SCHEMBL28628281

SCHEMBL28628281

COC(=O)NCc1cnc(SC)nc1Nc1ccc(OC)cn1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.44
MAPT P10636 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SYK P43405 2/20 0.36
MTNR1B P49286 1/20 0.36
MTNR1A P48039 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL28632463 0.83 HTT (0.41) HTTMAPTLMNAPOLBMEN1
SCHEMBL22165348 0.80 SMN1; SMN2 (0.46) HTTMAPTLMNAPOLBMEN1
SCHEMBL23978180 0.68 JAK2 (0.33)
SCHEMBL4712339 0.67 HTT (0.76) HTTMAPTLMNAPOLBSMN1; SMN2
SCHEMBL30879292 0.65 GAA (0.59) HTTMAPTLMNAMEN1KMT2A
SCHEMBL16824948 0.65 KDM4E (0.54) HTTPOLBMEN1KMT2AALDH1A1
SCHEMBL22165446 0.65 HTT (0.46) HTTMAPTPOLBMEN1KMT2A
SCHEMBL3970506 0.64 POLB (0.59) LMNAPOLBALDH1A1SMN1; SMN2KDM4E
SCHEMBL22178978 0.64 SMN1; SMN2 (0.56) HTTMAPTMEN1KMT2AALDH1A1
SCHEMBL30879308 0.64 MAPT (0.80) HTTMAPTLMNAPOLBMEN1

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-113474347-A AZA heterobicyclic inhibitors of MAT2A and methods for treating cancer 法国施维雅药厂 2021-10-01 CN disclosed