SCHEMBL4408658

SCHEMBL4408658

Cc1cc(-c2csc(NC(=O)CBr)n2)c(C)s1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 2/20 0.57
TYR P14679 1/20 0.42
RORC P51449 2/20 0.42
RAB9A P51151 3/20 0.42
ALDH1A1 P00352 3/20 0.42
NPC1 O15118 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 5/20 0.42
KMT2A Q03164 5/20 0.42
MEN1 O00255 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 2/20 0.41
LMNA P02545 2/20 0.41
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
RECQL P46063 1/20 0.41
ABL1 P00519 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
SLC12A2 P55011 1/20 0.40

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
SCHEMBL21589409 0.80 MAPT (0.61) PI4KBRAB9AALDH1A1NPC1GAA
SCHEMBL4417117 0.77 LMNA (0.63) PI4KBRORCRAB9AALDH1A1NPC1
SCHEMBL838537 0.74 SMN1; SMN2 (0.61) PI4KBRAB9AALDH1A1NPC1MAPT
SCHEMBL4420194 0.74 HDAC1 (0.65) RAB9AALDH1A1NPC1GAAMAPT
SCHEMBL480651 0.73 KMT2A (0.69) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL610572 0.72 RORC (0.53) PI4KBRORCRAB9AALDH1A1NPC1
SCHEMBL1915737 0.72 FFAR2 (0.45) TYRRORCKMT2A
SCHEMBL1915733 0.72 FFAR2 (0.45) TYRRORCKMT2A
SCHEMBL2452315 0.71 ELOVL1 (0.72) RAB9AALDH1A1NPC1MAPTKMT2A
SCHEMBL4408570 0.70 GAA (0.61) RAB9AALDH1A1NPC1GAAMAPT

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-2009144548-A1 IMIDAZO [2,1-B] PURINE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-12-03 WO disclosed