SCHEMBL31374402

SCHEMBL31374402

CCOC(=O)c1csc(-n2nc(-c3ccc(OC(F)(F)F)cc3)cc2N)n1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.55
LDHA P00338 5/20 0.53
KDM4E B2RXH2 6/20 0.52
MAPT P10636 5/20 0.52
MAPK1 P28482 2/20 0.52
PTGER1 P34995 5/20 0.51
L3MBTL1 Q9Y468 5/20 0.47
RECQL P46063 1/20 0.47
CHEK1 O14757 1/20 0.46
NPY5R Q15761 1/20 0.45
HPGD P15428 4/20 0.45
ALDH1A1 P00352 5/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL31374346 0.89 CHEK1 (0.56) GAALDHAKDM4EMAPTPTGER1
SCHEMBL31374435 0.88 LDHA (0.59) GAALDHAKDM4EMAPTMAPK1
SCHEMBL31374400 0.86 LDHA (0.57) GAALDHAKDM4EMAPTMAPK1
SCHEMBL31374395 0.86 LDHA (0.57) GAALDHAKDM4EMAPTMAPK1
SCHEMBL31374348 0.86 LDHA (0.59) GAALDHAKDM4EMAPTMAPK1
SCHEMBL31374396 0.86 LDHA (0.72) GAALDHAKDM4EMAPTPTGER1
SCHEMBL31374380 0.84 LDHA (0.54) GAALDHAKDM4EMAPTMAPK1
SCHEMBL31374386 0.81 LDHA (0.58) GAALDHAKDM4EMAPTL3MBTL1
SCHEMBL31374453 0.80 LDHA (0.57) GAALDHAKDM4EMAPTPTGER1
SCHEMBL31374354 0.79 CHEK1 (0.62) LDHAKDM4EMAPTPTGER1CHEK1

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-119192171-A Small molecule compounds and their use in vitro expansion of hematopoietic stem cells and/or progenitor cells 上海交通大学医学院 2024-12-27 CN disclosed