SCHEMBL25319871

SCHEMBL25319871

Fc1ccc(CSc2nc3cnccc3[nH]2)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.68
NPC1 O15118 8/20 0.68
SMN1; SMN2 Q16637 7/20 0.68
LMNA P02545 2/20 0.68
HTT P42858 1/20 0.68
PKM P14618 3/20 0.60
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
TP53 P04637 2/20 0.58
NPSR1 Q6W5P4 2/20 0.56
HPGD P15428 2/20 0.53
POLB P06746 1/20 0.53
CTDSP1 Q9GZU7 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
MAOB P27338 1/20 0.52
OPRL1 P41146 2/20 0.49
MAPK14 Q16539 2/20 0.49
KMT2A Q03164 2/20 0.49
ALDH1A1 P00352 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
SCHEMBL28720172 0.89 RAB9A (0.76) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25321130 0.88 RAB9A (0.62) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25319814 0.88 RAB9A (0.64) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25320555 0.86 RAB9A (0.80) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25321220 0.86 RAB9A (0.80) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL9690532 0.86 RAB9A (0.70) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL9692137 0.85 RAB9A (0.58) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25317194 0.85 RAB9A (0.56) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL25317747 0.84 RAB9A (0.82) RAB9ANPC1SMN1; SMN2LMNAHTT
SCHEMBL9692083 0.83 RAB9A (0.60) 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
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