SCHEMBL30944281

SCHEMBL30944281

Cc1cc(C)c2sc(NC(=O)C34CCCC(C)(CCC3)C4)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.55
KMT2A Q03164 4/20 0.55
RAB9A P51151 4/20 0.55
MEN1 O00255 3/20 0.55
KDM4E B2RXH2 3/20 0.47
MAPT P10636 4/20 0.41
ADORA1 P30542 1/20 0.39
CNR1 P21554 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
RXFP1 Q9HBX9 1/20 0.37
TP53 P04637 1/20 0.36
CNR2 P34972 1/20 0.36
LMNA P02545 1/20 0.36
MAPK1 P28482 1/20 0.36
PAX8 Q06710 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36

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
SCHEMBL28521684 1.00 NPC1 (0.55) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL30944404 0.84 NPC1 (0.56) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL30944292 0.81 ADORA1 (0.39) NPC1KMT2ARAB9AMEN1ADORA1
SCHEMBL28529397 0.81 ADORA1 (0.39) NPC1KMT2ARAB9AMEN1ADORA1
SCHEMBL28530312 0.81 NPC1 (0.40) NPC1KMT2ARAB9AMEN1ADORA1
SCHEMBL30944284 0.81 NPC1 (0.40) NPC1KMT2ARAB9AMEN1ADORA1
SCHEMBL30944286 0.76 DYRK1A (0.58) NPC1KMT2ARAB9AMEN1KDM4E
SCHEMBL30944288 0.76 ADORA1 (0.71) NPC1KMT2ARAB9AMEN1ADORA1
SCHEMBL30944291 0.76 ADORA1 (0.58) NPC1KMT2ARAB9AMEN1MAPT
SCHEMBL28512789 0.76 DYRK1A (0.58) NPC1KMT2ARAB9AMEN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP claimed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN claimed
EP-3758697-B1 NOVEL ANTIMYCOBACTERIAL HETEROCYCLIC AMIDES CRESTONE INC (US) 2024-10-16 EP disclosed
CN-118772080-A Antimycobacterial heterocyclic amides 克莱斯通公司 2024-10-15 CN disclosed
CN-112423746-B Novel antimycobacterial heterocyclic amides 克莱斯通公司 2024-06-28 CN disclosed