SCHEMBL5013359

SCHEMBL5013359

[O]c1cccc2sc(N3CCN(Cc4cccc(F)c4)CC3)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 2/20 0.52
HSD17B10 Q99714 1/20 0.52
RAB9A P51151 4/20 0.51
NPC1 O15118 3/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
DRD2 P14416 2/20 0.46
KCNH2 Q12809 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
PANK3 Q9H999 1/20 0.45
TSHR P16473 1/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45

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
SCHEMBL5013361 0.89 MEN1 (0.52) MEN1KMT2AALDH1A1HSD17B10RAB9A
SCHEMBL5063380 0.87 RAB9A (0.67) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL27645188 0.83 RAB9A (0.75) MEN1KMT2AALDH1A1HSD17B10RAB9A
SCHEMBL2091459 0.83 SMN1; SMN2 (0.44) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5015038 0.81 RAB9A (0.50) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5063385 0.75 RAB9A (0.67) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL5015098 0.75 SIGMAR1 (0.50) MEN1KMT2ARAB9ANPC1L3MBTL1
SCHEMBL2096712 0.74 SCD (0.50) MEN1KMT2AALDH1A1RAB9ANPC1
SCHEMBL2091149 0.74 SMN1; SMN2 (0.68) ALDH1A1HSD17B10RAB9ANPC1SMN1; SMN2
SCHEMBL16226986 0.73 ALDH1A1 (0.82) MEN1KMT2AALDH1A1HSD17B10SMN1; SMN2

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
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed