SCHEMBL5063380

SCHEMBL5063380

[O]c1cccc2sc(N3CCN(Cc4ccccc4)CC3)nc12

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.67
NPC1 O15118 6/20 0.67
MEN1 O00255 4/20 0.67
KMT2A Q03164 4/20 0.67
MAPT P10636 3/20 0.53
LMNA P02545 1/20 0.53
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP3A4 P08684 1/20 0.47
POLB P06746 1/20 0.46
DRD4 P21917 1/20 0.46
SIGMAR1 Q99720 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
SCHEMBL5063385 0.88 RAB9A (0.67) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5013359 0.87 MEN1 (0.52) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5015038 0.86 RAB9A (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5015098 0.84 SIGMAR1 (0.50) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2095137 0.81 MAPT (0.48) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL7760900 0.80 RAB9A (1.00) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL5015014 0.80 MAPT (0.43) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL13159141 0.79 RAB9A (0.68) RAB9ANPC1MEN1KMT2AMAPT
SCHEMBL2091149 0.78 SMN1; SMN2 (0.68) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL5015059 0.76 SMN1; SMN2 (0.51) RAB9ANPC1MAPTLMNAALDH1A1

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