SCHEMBL9925905

SCHEMBL9925905

C/C=C(/N[C@@H](CN)C(=O)NO)c1ccc(C#CC#Cc2ccc(C(=O)NCCN)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
NFKB1 P19838 1/20 0.40
MAOB P27338 1/20 0.40
TERT O14746 2/20 0.39
MEN1 O00255 1/20 0.39
BLM P54132 1/20 0.39
PMP22 Q01453 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL401339 0.89 CYP1A2 (0.45) CYP1A2TSHRNFKB1MAOBTERT
SCHEMBL1105540 0.89 CYP1A2 (0.45) CYP1A2TSHRNFKB1MAOBTERT
SCHEMBL405582 0.82 TERT (0.43) TERT
SCHEMBL400968 0.81
SCHEMBL399172 0.79 GRIN1 (0.45)
SCHEMBL402850 0.79
SCHEMBL12056170 0.78
SCHEMBL399385 0.78 CYP1A2 (0.42) CYP1A2TSHRNFKB1MAOB
SCHEMBL1105525 0.78 CYP1A2 (0.42) CYP1A2TSHRNFKB1MAOB
SCHEMBL399386 0.78 CYP1A2 (0.42) CYP1A2TSHRNFKB1MAOB

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-1618087-B1 ANTIBACTERIAL AGENTS NOVARTIS VACCINES & DIAGNOSTIC (US) 2012-06-13 EP disclosed