SCHEMBL4054772

SCHEMBL4054772

CC(C)(C)[C@H](NC(=O)c1nn(CCCCC#N)c2ccc(Cl)cc12)C(=O)NCC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.48
CNR2 P34972 9/20 0.48
CTSL P07711 2/20 0.33
CTSS P25774 2/20 0.33
CTSV O60911 1/20 0.33
CTSB P07858 1/20 0.33
CTSK P43235 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 0.33
JAK3 P52333 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
SCHEMBL4055740 0.91 CNR1 (0.49) CNR1CNR2CTSLCTSSCTSV
SCHEMBL13690525 0.91 CNR1 (0.57) CNR1CNR2
SCHEMBL4049369 0.90 CNR1 (0.48) CNR1CNR2
SCHEMBL4056091 0.90 CNR1 (0.59) CNR1CNR2
SCHEMBL4049934 0.89 CNR1 (0.45) CNR1CNR2CTSLCTSSCTSV
SCHEMBL13691236 0.89 CNR1 (0.44) CNR1CNR2CTSLCTSSCTSV
SCHEMBL4056713 0.89 CNR1 (0.44) CNR1CNR2CTSLCTSSCTSV
SCHEMBL4053834 0.88 CNR1 (0.62) CNR1CNR2
SCHEMBL4059339 0.88 CNR1 (0.62) CNR1CNR2
SCHEMBL4051609 0.87 CNR1 (0.48) CNR1CNR2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO claimed
WO-2009106980-A2 INDAZOLE DERIVATIVES PFIZER INC. (US) 2009-09-03 WO disclosed