SCHEMBL885408

SCHEMBL885408

NC(=O)Cc1nsc(NC(=O)NCc2ccc(Cl)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ALDH1A1 P00352 11/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 8/20 0.37
MEN1 O00255 7/20 0.37
KMT2A Q03164 7/20 0.37
MAPT P10636 5/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
HTT P42858 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35

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
SCHEMBL355374 0.87 ALDH1A1 (0.37) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL885407 0.83 ALDH1A1 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL3648974 0.80 MEN1 (0.46) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL353277 0.75 KMT2A (0.36) RAB9AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL353276 0.75 KMT2A (0.36) RAB9AALDH1A1SMN1; SMN2KDM4EMEN1
SCHEMBL354665 0.74 ALDH1A1 (0.34) RAB9AALDH1A1SMN1; SMN2KMT2AHTT
SCHEMBL885466 0.73 ROCK2 (0.53) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL353960 0.73 HTT (0.36) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL352427 0.73 SMN1; SMN2 (0.35) NPC1RAB9AALDH1A1SMN1; SMN2KDM4E
SCHEMBL19119454 0.73 ALDH1A1 (0.33) RAB9AALDH1A1SMN1; SMN2KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP disclosed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO disclosed