SCHEMBL31374396

SCHEMBL31374396

CCOC(=O)c1csc(-n2nc(-c3ccccc3)cc2N)n1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 4/20 0.72
GAA P10253 2/20 0.53
ALDH1A1 P00352 5/20 0.51
PTGER1 P34995 5/20 0.51
KDM4E B2RXH2 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
POLB P06746 2/20 0.51
MAPT P10636 3/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
HPGD P15428 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
CHEK1 O14757 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP2C9 P11712 1/20 0.45
TBXA2R P21731 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
SCHEMBL31374435 0.92 LDHA (0.59) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374348 0.92 LDHA (0.59) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374386 0.90 LDHA (0.58) LDHAGAAALDH1A1KDM4EL3MBTL1
SCHEMBL31374395 0.90 LDHA (0.57) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374400 0.90 LDHA (0.57) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374453 0.89 LDHA (0.57) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374346 0.89 CHEK1 (0.56) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL1549091 0.88 LDHA (0.60) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374380 0.87 LDHA (0.54) LDHAGAAALDH1A1PTGER1KDM4E
SCHEMBL31374402 0.86 GAA (0.55) LDHAGAAALDH1A1PTGER1KDM4E

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