SCHEMBL31325504

SCHEMBL31325504

c1ccc(CSc2nc3ccccc3[nH]2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 1.00
NPC1 O15118 7/20 1.00
SMN1; SMN2 Q16637 7/20 0.77
LMNA P02545 3/20 0.77
HTT P42858 2/20 0.77
AR P10275 2/20 0.73
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
NFKB1 P19838 3/20 0.71
NFKB2 Q00653 3/20 0.71
RELA Q04206 3/20 0.71
BCHE P06276 1/20 0.69
TP53 P04637 4/20 0.68
MAPT P10636 4/20 0.68
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
MAPK1 P28482 1/20 0.65
HSD17B10 Q99714 1/20 0.65
MAOB P27338 1/20 0.65
ALDH1A1 P00352 2/20 0.64

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
SCHEMBL2949736 1.00 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12316861 0.91 RAB9A (0.82) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL15652523 0.89 RAB9A (0.79) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604481 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604486 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325523 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325547 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325620 0.87 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL10691877 0.85 ALDH1A1 (0.75) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL2028398 0.84 RAB9A (0.71) RAB9ANPC1SMN1; SMN2LMNAHTT

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-119060050-A Benzimidazole compound and application thereof 中国药科大学 2024-12-03 CN disclosed