SCHEMBL13637866

SCHEMBL13637866

COCCCOc1cccnc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
LMNA P02545 3/20 0.45
MAPT P10636 5/20 0.42
KDM4E B2RXH2 5/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.40
PLAU P00749 1/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL2358781 0.82 PDE5A (0.48) MEN1KMT2ALMNAMAPTKDM4E
SCHEMBL8241387 0.79 CHRNB4 (0.50) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL5185836 0.78 MAPT (0.39) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL3574928 0.77 GRM5 (0.49) MEN1KMT2ASMN1; SMN2LMNAMAPT
SCHEMBL31259513 0.77
SCHEMBL178392 0.77
SCHEMBL2485359 0.76 RAB9A (0.75) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL6044323 0.76 GAA (0.67) NPC1SMN1; SMN2LMNAMAPTKDM4E
SCHEMBL8241004 0.75 NPC1 (0.49) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL8502625 0.74 KMT2A (0.39) KMT2ANPC1RAB9ASMN1; SMN2LMNA

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
US-7622490-B2 especially for multi-drug resistant strains TIBOTEC PHARMACEUTICALS, LTD. (IE) 2009-11-24 US disclosed