SCHEMBL8138463

SCHEMBL8138463

NCCC(=O)c1ncc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TBXAS1 P24557 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
CYP2C19 P33261 1/20 0.37
CSNK1A1 P48729 1/20 0.37
TYRO3 Q06418 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
LMNA P02545 1/20 0.36
HDAC3 O15379 1/20 0.36
NCOR1 O75376 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
F2RL1 P55085 1/20 0.35
GLA P06280 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
SCHEMBL5175344 0.89 NPC1 (0.40) KMT2ANPC1RAB9ATBXAS1CYP3A4
SCHEMBL27352543 0.84
SCHEMBL8736180 0.84 TBXAS1 (0.47) KMT2ANPC1RAB9ATBXAS1LMNA
SCHEMBL1237700 0.82 NPC1 (0.43) KMT2ANPC1RAB9ATBXAS1HDAC3
SCHEMBL28848958 0.81 NPC1 (0.40) KMT2ANPC1RAB9ATBXAS1HDAC3
SCHEMBL7574578 0.81 NPC1 (0.46) KMT2ANPC1RAB9ATBXAS1TSHR
SCHEMBL10997776 0.81 TBXAS1 (0.49) KMT2ANPC1RAB9ATBXAS1TSHR
SCHEMBL29163121 0.79 NPC1 (0.47) KMT2ANPC1RAB9ATBXAS1HDAC1
SCHEMBL13255601 0.79 KMT2A (0.42) KMT2ANPC1RAB9ATBXAS1HDAC3
SCHEMBL7472243 0.79 NPC1 (0.45) KMT2ANPC1RAB9ATBXAS1HDAC3

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-6090842-A REDUCES CONCENTRATION OF OXYGEN IN CELLS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2000-07-18 US claimed