SCHEMBL7522642

SCHEMBL7522642

O=C(Nc1ccc(-c2ccccc2)cc1)c1cccs1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 8/20 0.80
RAB9A P51151 8/20 0.80
MEN1 O00255 6/20 0.80
KMT2A Q03164 6/20 0.80
TDP1 Q9NUW8 1/20 0.80
SMN1; SMN2 Q16637 4/20 0.69
MAPT P10636 3/20 0.69
LMNA P02545 2/20 0.69
GFER P55789 1/20 0.69
HTT P42858 1/20 0.69
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 2/20 0.66
TP53 P04637 2/20 0.66
HDAC3 O15379 1/20 0.65
HDAC1 Q13547 1/20 0.65
THRB P10828 1/20 0.64
CASP3 P42574 1/20 0.63
CASP2 P42575 1/20 0.63
KCNK3 O14649 1/20 0.61
KCNK9 Q9NPC2 1/20 0.61

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
SCHEMBL19392293 0.95 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL1929165 0.90 NPC1 (0.85) NPC1RAB9AMEN1KMT2ATDP1
Hydrochloric Acid SCHEMBL31228835 0.88 NPC1 (0.82) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL11887623 0.87 MEN1 (1.00) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL29684351 0.86 KCNK3 (0.74) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL8771200 0.84 NPC1 (0.89) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL12259170 0.84 KCNK3 (0.84) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11729204 0.83 MEN1 (0.80) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL2063276 0.83 NPC1 (0.86) NPC1RAB9AMEN1KMT2ATDP1
SCHEMBL15434968 0.83 LMNA (0.74) NPC1RAB9AMEN1KMT2ATDP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001021160-B1 CARBOXYMIDE AND ANILINE DERIVATIVES AS SELECTIVE INHIBITORS OF PATHOGENS AXXIMA PHARMACEUTICALS AG (DE) 2002-05-30 WO claimed
CN-114763346-B Compounds for inducing cartilage formation and application thereof 华东师范大学 2025-06-10 CN disclosed
CN-114763346-A Compound for inducing chondrogenesis and application thereof 华东师范大学 2022-07-19 CN disclosed