SCHEMBL31374341

SCHEMBL31374341

COc1ccc(-c2cc(N)n(-c3nc(C(N)=O)cs3)n2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LDHA P00338 6/20 0.61
PTGER1 P34995 6/20 0.60
CHEK1 O14757 1/20 0.60
RAB9A P51151 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 2/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
GAA P10253 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 2/20 0.45
NPC1 O15118 2/20 0.44
POLB P06746 1/20 0.44
MAPT P10636 1/20 0.44
NPY5R Q15761 1/20 0.43
KMT2A Q03164 1/20 0.43
ATM Q13315 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
SCHEMBL31374351 0.91 LDHA (0.75) LDHAPTGER1CHEK1RAB9AALDH1A1
SCHEMBL31374354 0.90 CHEK1 (0.62) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL31374346 0.86 CHEK1 (0.56) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL31374419 0.84 CHEK1 (0.70) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL31374433 0.83 CHEK1 (0.57) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL17900391 0.79 PTGER1 (0.74) LDHAPTGER1CHEK1RAB9AALDH1A1
SCHEMBL31374435 0.76 LDHA (0.59) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL31374400 0.74 LDHA (0.57) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL31374375 0.74 LDHA (0.79) LDHAPTGER1CHEK1RAB9ASMN1; SMN2
SCHEMBL31374372 0.74 NPC1 (0.47) CHEK1RAB9ASMN1; SMN2ALDH1A1KDM4E

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