SCHEMBL6615903

SCHEMBL6615903

BC1Nc2cc([N+](=O)[O-])ccc2CNC1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PNMT P11086 9/20 0.43
ADRA2A P08913 6/20 0.43
ADRA2B P18089 3/20 0.43
ADRA2C P18825 3/20 0.43
GRIN2B Q13224 2/20 0.42
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MAPK1 P28482 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL6633696 0.78 MEN1 (0.61) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL6615906 0.77 MEN1 (0.60) PNMTADRA2AADRA2BADRA2CGRIN2B
SCHEMBL27769158 0.68 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL26934209 0.68 MAPT (0.45) ALDH1A1CYP1A2CYP3A4CYP2C9MAPK1
SCHEMBL7439144 0.64 TDP1 (0.50) GRIN2B
SCHEMBL27768825 0.64 KDM1A (0.48) ALDH1A1LMNA
SCHEMBL6615848 0.64 MEN1 (0.47) ALDH1A1CYP3A4SMN1; SMN2
SCHEMBL6615845 0.64 PNMT (0.48) PNMTADRA2AADRA2BADRA2C
SCHEMBL654053 0.63 PNMT (0.50) PNMTADRA2AADRA2BADRA2C
SCHEMBL6636013 0.63 PNMT (0.62) PNMTADRA2AADRA2BADRA2C

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-0892797-A4 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL MYERS SQUIBB CO (US) 2004-10-20 EP disclosed
EP-0892797-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1999-01-27 EP disclosed
WO-1997030992-A1 INHIBITORS OF FARNESYL PROTEIN TRANSFERASE BRISTOL-MYERS SQUIBB COMPANY (US) 1997-08-28 WO disclosed