SCHEMBL29548308

SCHEMBL29548308

NC(=O)c1ccc(-n2cc(CCO)nn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.57
▸ MAOB P27338 1/20 0.57
▸ DDX3X O00571 2/20 0.51
▸ NOTUM Q6P988 6/20 0.49
▸ CA1 P00915 4/20 0.49
▸ CA2 P00918 4/20 0.49
▸ CA9 Q16790 4/20 0.49
▸ CA12 O43570 3/20 0.49
▸ KDM4E B2RXH2 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ CA4 P22748 1/20 0.47
▸ CA7 P43166 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ MIF P14174 4/20 0.46
▸ P2RX7 Q99572 1/20 0.44

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
SCHEMBL17978468 0.81 NOTUM (0.53) MAOAMAOBDDX3XNOTUMCA1
SCHEMBL20046238 0.78 MAOA (0.68) MAOAMAOBNOTUMCA1CA2
SCHEMBL16401559 0.78 NOTUM (0.74) MAOADDX3XNOTUMCA1CA2
SCHEMBL22873389 0.76 MAOA (0.64) MAOAMAOBNOTUMCA1CA2
SCHEMBL17978570 0.75 PTGS2 (0.50) DDX3XNOTUMCA1CA2CA9
SCHEMBL29979916 0.75 MAOA (0.52) MAOAMAOBNOTUMCA1CA2
SCHEMBL16964546 0.75 DDX3X (0.53) MAOAMAOBDDX3XNOTUMMIF
SCHEMBL15060983 0.71 MIF (0.68) DDX3XNOTUMCA1CA2CA9
SCHEMBL29828549 0.71 MAOA (0.66) MAOAMAOBDDX3XMIFP2RX7
SCHEMBL17185566 0.71 NOTUM (0.59) NOTUMCA1CA2CA9CA4

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-3258929-B1 FACTOR IXA INHIBITORS MERCK SHARP & DOHME (US) 2022-04-27 — — EP claimed
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