SCHEMBL6610178

SCHEMBL6610178

NC(=O)CN1C=CN=Cc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPK1 P28482 2/20 0.40
SCN9A Q15858 2/20 0.40
TSHR P16473 1/20 0.40
SCN4A P35499 1/20 0.40
SCN5A Q14524 1/20 0.40
P2RX4 Q99571 7/20 0.33
GRIN1 Q05586 3/20 0.32
GRIN2A Q12879 3/20 0.32
GRIN2B Q13224 3/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP2C19 P33261 1/20 0.32
PTBP1 P26599 1/20 0.32
P2RX1 P51575 1/20 0.32
P2RX3 P56373 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX7 Q99572 1/20 0.32
KMT2A Q03164 2/20 0.31
HPGD P15428 1/20 0.31

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
Biphenyl SCHEMBL27413094 0.94 LMNA (0.36) LMNAMAPK1SCN9ATSHRSCN4A
SCHEMBL11709141 0.79 LMNA (0.31) LMNAMAPK1SCN9ATSHRSCN4A
SCHEMBL9527213 0.79 LMNA (0.31) LMNAMAPK1SCN9ATSHRSCN4A
SCHEMBL7334709 0.76 LMNA (0.47) LMNAMAPK1SCN9ATSHRSCN4A
SCHEMBL11389444 0.76 MAPT (0.33) P2RX4KDM4EPTBP1P2RX1P2RX3
SCHEMBL3523519 0.73 LMNA (0.39) LMNATSHRP2RX4KDM4EP2RX1
SCHEMBL7339454 0.73 LMNA (0.40) LMNAMAPK1SCN9ATSHRSCN4A
SCHEMBL11276030 0.72 MAOB (0.34) KMT2AMEN1
SCHEMBL11868744 0.72 MAPT (0.38) LMNAMAPK1KDM4ENPSR1KMT2A
SCHEMBL3635590 0.71 P2RX4 (0.39) LMNAMAPK1SCN9ATSHRSCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027042-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-08-18 EP disclosed
EP-1027042-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2000-08-16 EP disclosed
WO-1999018951-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-04-22 WO disclosed