SCHEMBL7670531

SCHEMBL7670531

CN(Cc1cccnc1)S(=O)(=O)Cl

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.62
CHRNA4 P43681 3/20 0.62
CHRNA7 P36544 1/20 0.50
GRM2 Q14416 5/20 0.49
RIPK1 Q13546 1/20 0.49
LMNA P02545 2/20 0.48
ALDH1A1 P00352 2/20 0.48
NAMPT P43490 3/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45

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
SCHEMBL12880767 0.86 CHRNB2 (0.62) CHRNB2CHRNA4CHRNA7GRM2RIPK1
SCHEMBL27326669 0.78 CHRNB2 (0.71) CHRNB2CHRNA4CHRNA7RIPK1LMNA
SCHEMBL30632262 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7RIPK1LMNA
SCHEMBL6629548 0.77 ALDH1A1 (0.54) LMNAALDH1A1KDM4E
SCHEMBL10028665 0.77 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7RIPK1LMNA
SCHEMBL3460939 0.77 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7RIPK1LMNA
SCHEMBL6749666 0.76 CHRNB2 (0.50) CHRNB2CHRNA4GRM2RIPK1LMNA
SCHEMBL22928701 0.76 CHRNB2 (0.75) CHRNB2CHRNA4CHRNA7RIPK1LMNA
SCHEMBL12089140 0.75 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7GRM2RIPK1
SCHEMBL29642739 0.74 ALDH1A1 (0.62) LMNAALDH1A1NAMPTKDM4EPDE4A

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
US-6458783-B1 INHIBITION OF FARNESYL TRANSFERASE, WHICH IS AN ENZYME INVOLVED IN RAS ONCOGENE EXPRESSION, IS EFFECTED BY COMPOUNDS OF THE FORMULAS OF BENODIAZEPINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2002-10-01 US disclosed
WO-2001081322-A1 NON-IMIDAZOLE BENZODIAZEPINE INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 2001-11-01 WO disclosed