SCHEMBL6938746

SCHEMBL6938746

O=C(N[C@@H](Cc1ccccc1)C(=O)O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.59
ACE P12821 2/20 0.56
NPC1 O15118 1/20 0.56
TP53 P04637 1/20 0.56
RAB9A P51151 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CA1 P00915 1/20 0.56
PTPN1 P18031 2/20 0.55
PKM P14618 1/20 0.55
ALOX5 P09917 2/20 0.55
GPR132 Q9UNW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
MAPK1 P28482 1/20 0.50

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
SCHEMBL8588574 1.00 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL7971423 1.00 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL6850655 1.00 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL453542 0.90 CA2 (0.60) CA2ACECA1PTPN1ALOX5
SCHEMBL453543 0.90 CA2 (0.60) CA2ACECA1PTPN1ALOX5
SCHEMBL7510215 0.90 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL8104529 0.90 CA2 (0.59) CA2ACENPC1TP53RAB9A
SCHEMBL3679858 0.89 CA2 (0.48) CA2ACENPC1TP53RAB9A
SCHEMBL7442005 0.88 CA2 (0.74) CA2ACENPC1TP53RAB9A
SCHEMBL7442014 0.88 CA2 (0.74) CA2ACENPC1TP53RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998039286-A1 METHOD FOR OBTAINING α-AMINO ACID ENANTIOMERS AND INTERMEDIATE DIASTEREOISOMERIC SALTS SANOFI (FR) 1998-09-11 WO claimed
EP-1091932-B1 CHIRAL STATIONARY PHASES FOR ENANTIOMERS SEPARATION AND THEIR PREPARATION EURAND PHARMACEUTICALS LTD (IE) 2003-06-25 EP disclosed
US-6437167-B1 CHROMATOGRAPHIC COLUMNS FOR ANALYTICAL AND PREPARATIVE SEPARATION OF ENANTIOMERS; INTRODUCTION OF CHIRAL GROUPS ON 1,3-DICYANO-2,4,5,6-TETRACHLOROBENZENE BY SUBSTITUTION OF CHLORINE ATOMS, SPACER GROUP SOCIETA' COOPERATIVE CENTRO RICERCHE POLYTECH A RESPONSABILITIA' LIMITATA (IT) 2002-08-20 US disclosed
EP-0948483-B1 FARNESYL TRANSFERASE INHIBITORS AVENTIS PHARMA SA (FR) 2002-03-13 EP disclosed
US-6218406-B1 AS ANTITUMOR AND ANTILEUKEMIC AGENTS AVENTIS PHARMA S.A. (FR) 2001-04-17 US disclosed
US-6124465-A Farnesyl transferase inhibitors, their preparation, the pharmaceutical compositions which contain them and their use in the preparation of medicaments RHONE-POULENC S.A. (FR) 2000-09-26 US disclosed
US-6013662-A ANTITUMOR, ANTICARCINOGENIC AGENTS RHONE-POULENC RORER S.A. (FR) 2000-01-11 US disclosed
EP-0948483-A1 FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1999-10-13 EP disclosed
US-5936097-A ANTITUMOR AGENTS RHONE-POULENC RORER, S.A. (FR) 1999-08-10 US disclosed
WO-1998029390-A1 FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1998-07-09 WO disclosed
US-4324681-A Chiral supports for resolution of racemates UOP INC. (US) 1982-04-13 US disclosed