SCHEMBL4049633

SCHEMBL4049633

COC(=O)c1nn(CCCC#N)c2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 6/20 0.50
PLAU P00749 3/20 0.50
F2 P00734 2/20 0.50
CNR1 P21554 7/20 0.47
CNR2 P34972 5/20 0.47
HTR3A P46098 4/20 0.46
KDM4E B2RXH2 2/20 0.42
PARP1 P09874 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL4048620 0.85 ELANE (0.55) ELANEPLAUF2CNR1CNR2
SCHEMBL4052496 0.85 TSHR (0.51) CNR1CNR2HTR3AKDM4EPARP1
SCHEMBL18525606 0.84 ELANE (0.52) ELANEPLAUF2TSHR
SCHEMBL3071892 0.84 ELANE (0.53) ELANEPLAUF2CNR1CNR2
SCHEMBL8400360 0.84 PARP1 (0.57) ELANECNR1CNR2HTR3AKDM4E
SCHEMBL17287279 0.84 CNR1 (0.60) ELANEPLAUF2CNR1CNR2
SCHEMBL31429235 0.82 ELANE (0.57) ELANEPLAUF2CNR1CNR2
SCHEMBL13690858 0.81 TSHR (0.47) CNR1CNR2HTR3AKDM4EPARP1
SCHEMBL31429292 0.81 ELANE (0.56) ELANEPLAUF2CNR1CNR2
SCHEMBL3065175 0.81 ELANE (0.50) ELANEPLAUF2CNR1CNR2

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