SCHEMBL28844872

SCHEMBL28844872

O=C(NCc1cccc(Br)c1)c1cccs1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.64
HPGD P15428 6/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 3/20 0.54
POLB P06746 1/20 0.54
HTT P42858 2/20 0.53
MEN1 O00255 1/20 0.53
ALOX15 P16050 1/20 0.53
KMT2A Q03164 1/20 0.53
KDM4E B2RXH2 1/20 0.53
ALOX5 P09917 1/20 0.52
GRIN2D O15399 1/20 0.52
GRIN3B O60391 1/20 0.52
GRIN1 Q05586 1/20 0.52
GRIN2A Q12879 1/20 0.52
GRIN2B Q13224 1/20 0.52
GRIN2C Q14957 1/20 0.52
GRIN3A Q8TCU5 1/20 0.52
HDAC1 Q13547 1/20 0.51

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
SCHEMBL29732813 1.00 NPC1 (0.64) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL18906063 0.84 HPGD (0.59) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL13895327 0.83 HPGD (0.59) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL29684591 0.82 NPC1 (0.59) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL2925459 0.82 NPC1 (0.71) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL29732908 0.80 HPGD (0.54) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL12993479 0.80 TSHR (0.56) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL28844940 0.80 HPGD (0.54) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL6123167 0.80 ALDH1A1 (0.74) NPC1HPGDALDH1A1SMN1; SMN2RAB9A
SCHEMBL9365875 0.79 ACKR3 (0.64) NPC1HPGDALDH1A1SMN1; SMN2RAB9A

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
CN-114763347-A Compound for inducing mesenchymal stem cells to differentiate towards cartilage and application thereof 华东师范大学 2022-07-19 CN claimed
CN-114763347-B Compound for inducing mesenchymal stem cells to differentiate into cartilage and application thereof 华东师范大学 2024-06-21 CN disclosed
CN-114763347-A Compound for inducing mesenchymal stem cells to differentiate towards cartilage and application thereof 华东师范大学 2022-07-19 CN disclosed