SCHEMBL31325540

SCHEMBL31325540

FC(F)(F)c1ccc(CSc2nc3ccccc3[nH]2)cc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.72
NPC1 O15118 7/20 0.72
SMN1; SMN2 Q16637 5/20 0.72
LMNA P02545 5/20 0.72
HTT P42858 2/20 0.72
MAOB P27338 1/20 0.69
NFKB1 P19838 3/20 0.64
NFKB2 Q00653 3/20 0.64
RELA Q04206 3/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
MAPT P10636 3/20 0.62
ALDH1A1 P00352 3/20 0.62
HDAC1 Q13547 2/20 0.62
HDAC3 O15379 1/20 0.62
HDAC4 P56524 1/20 0.62
HDAC7 Q8WUI4 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC10 Q969S8 1/20 0.62
HDAC11 Q96DB2 1/20 0.62

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
SCHEMBL16366743 0.86 RAB9A (0.71) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325504 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL2949736 0.84 RAB9A (1.00) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25317194 0.83 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL15652523 0.82 RAB9A (0.79) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325547 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325523 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604486 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL31325620 0.81 RAB9A (0.77) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL12604481 0.81 RAB9A (0.77) 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