SCHEMBL16213764

SCHEMBL16213764

CN(Cc1nccn1CCO)Cc1nccn1CCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KMT2A Q03164 5/20 0.37
NCOA1 Q15788 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
MAPT P10636 5/20 0.36
KDM4E B2RXH2 4/20 0.36
NPSR1 Q6W5P4 4/20 0.36
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
NPC1 O15118 1/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 3/20 0.35
PKM P14618 1/20 0.35
OPRK1 P41145 1/20 0.34
POLB P06746 2/20 0.34
FPR2 P25090 1/20 0.33

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
SCHEMBL13287470 0.82 RAB9A (0.41) RAB9AL3MBTL1KMT2ANCOA1SMN1; SMN2
SCHEMBL13764517 0.81 LMNA (0.39) L3MBTL1KMT2ASMN1; SMN2KDM4ENPSR1
SCHEMBL26196840 0.79 ALPG (0.48) KMT2ALMNAALDH1A1POLBFPR2
SCHEMBL17865370 0.79 KCNH2 (0.41) KMT2ASMN1; SMN2LMNAMEN1ALDH1A1
SCHEMBL20425451 0.77 KCNH2 (0.42) FPR2
SCHEMBL11295344 0.76 KCNH2 (0.42) KMT2ALMNAALDH1A1POLB
SCHEMBL10292434 0.76 FPR2 (0.45) RAB9AL3MBTL1KMT2ANCOA1SMN1; SMN2
SCHEMBL23053790 0.76 KCNH2 (0.33) KMT2ALMNAMEN1ALDH1A1POLB
Bromide SCHEMBL18979889 0.76 KCNH2 (0.41) FPR2
SCHEMBL28699417 0.75 ALDH1A1 (0.39) KMT2ASMN1; SMN2LMNAGAAALDH1A1

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-8877970-B2 Inhibitors of carbonic anhydrase IX MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2014-11-04 US disclosed