SCHEMBL7511838

SCHEMBL7511838

N[C@@H](Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 2/20 0.51
GRM4 Q14833 2/20 0.51
SLC7A5 Q01650 4/20 0.50
PTGS1 P23219 2/20 0.50
PTPRA P18433 1/20 0.50
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
XIAP P98170 1/20 0.50
KMO O15229 1/20 0.49
CYP2C19 P33261 1/20 0.48
GRM6 O15303 1/20 0.48
KDM4E B2RXH2 1/20 0.47
USP2 O75604 1/20 0.47
EGFR P00533 1/20 0.47
LCK P06239 1/20 0.47
FYN P06241 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
ALOX15 P16050 1/20 0.47
HTR2A P28223 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL7511836 1.00 GRM8 (0.51) GRM8GRM4SLC7A5PTGS1PTPRA
SCHEMBL30232038 0.84 GRM8 (0.63) GRM8GRM4SLC7A5PTGS1ALPI
SCHEMBL44004 0.84 GRM8 (0.63) GRM8GRM4SLC7A5PTGS1ALPI
SCHEMBL8083539 0.84 GRM8 (0.63) GRM8GRM4SLC7A5PTGS1ALPI
SCHEMBL44005 0.84 GRM8 (0.63) GRM8GRM4SLC7A5PTGS1ALPI
SCHEMBL29616010 0.84 GRM8 (0.63) GRM8GRM4SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL6747798 0.83 GRM8 (0.62) GRM8GRM4SLC7A5PTGS1ALPI
Hydrochloric Acid SCHEMBL8127068 0.83 GRM8 (0.62) GRM8GRM4SLC7A5PTGS1ALPI
Dl-Phenylalanine SCHEMBL27765394 0.83 ALPI (0.65) GRM8GRM4SLC7A5PTGS1PTPRA
Hydrochloric Acid SCHEMBL6747799 0.83 GRM8 (0.62) GRM8GRM4SLC7A5PTGS1ALPI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-1042329-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL, COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES Aventis Pharma S.A. (FR) 2000-10-11 EP 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-0839133-B1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS RHONE POULENC RORER SA (FR) 1999-10-06 EP disclosed
US-5936097-A ANTITUMOR AGENTS RHONE-POULENC RORER, S.A. (FR) 1999-08-10 US disclosed
WO-1999033834-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND USE FOR PREPARING MEDICINES AVENTIS PHARMA S.A. (FR) 1999-07-08 WO disclosed
EP-0839133-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS Aventis Pharma S.A. (FR) 1998-05-06 EP disclosed
WO-1997003050-A1 4,9-ETHANO-BENZO(F)ISOINDOLE DERIVATIVES AS FARNESYL TRANSFERASE INHIBITORS RHONE-POULENC RORER S.A. (FR) 1997-01-30 WO disclosed