SCHEMBL25318784

SCHEMBL25318784

c1cncc(CSc2nc3cnccc3[nH]2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
TP53 P04637 3/20 0.56
KMT2A Q03164 1/20 0.56
NPC1 O15118 7/20 0.56
GFER P55789 2/20 0.55
PKM P14618 3/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HPGD P15428 3/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
DAO P14920 1/20 0.50
PDE7A Q13946 1/20 0.50
ALDH1A1 P00352 2/20 0.49
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL9690532 0.90 RAB9A (0.70) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL28720175 0.89 RAB9A (0.70) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL25321130 0.87 RAB9A (0.62) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL9843023 0.83 RAB9A (0.60) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL25317747 0.83 RAB9A (0.82) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL9693079 0.83 RAB9A (0.60) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL8349434 0.83 RAB9A (0.51) RAB9ASMN1; SMN2TP53KMT2ANPC1
Bromide SCHEMBL9692623 0.82 RAB9A (0.59) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL25319871 0.82 RAB9A (0.68) RAB9ASMN1; SMN2TP53KMT2ANPC1
SCHEMBL25320555 0.82 RAB9A (0.80) RAB9ASMN1; SMN2TP53KMT2ANPC1

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
WO-2023137885-A1 COMPOUND HAVING PYRIDOIMIDAZOLE AS PARENT NUCLEUS, AND PREPARATION METHOD FOR AND USE OF COMPOUND 中国药科大学 2023-07-27 WO disclosed