SCHEMBL8370221

SCHEMBL8370221

CCCC[C@H](NC(=O)c1cccc2c([N+](=O)[O-])cccc12)C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.57
FNTB P49356 3/20 0.57
SMN1; SMN2 Q16637 1/20 0.48
CA2 P00918 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
GLA P06280 1/20 0.44
PYGL P06737 1/20 0.42
CYP2C9 P11712 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
MME P08473 1/20 0.40
TACR3 P29371 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 1/20 0.39

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
SCHEMBL8371075 0.85 FNTA (0.57) FNTAFNTBCA2ALDH1A1TSHR
SCHEMBL8368841 0.81 FNTA (0.64) FNTAFNTBCA2ALDH1A1PYGL
SCHEMBL8624885 0.79 FNTA (0.52) FNTAFNTBCA2ALDH1A1TDP1
SCHEMBL9770900 0.78 CTSD (0.55) SMN1; SMN2ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL8670657 0.75 CA2 (0.54) FNTAFNTBCA2ALDH1A1PYGL
SCHEMBL21579700 0.75 CA2 (0.54) FNTAFNTBCA2ALDH1A1PYGL
SCHEMBL9134702 0.75 CA2 (0.53) FNTAFNTBCA2ALDH1A1PYGL
SCHEMBL30952823 0.74 PYGL (0.56) FNTAFNTBSMN1; SMN2CA2PYGL
SCHEMBL7908196 0.74 SMN1; SMN2 (0.55) SMN1; SMN2ALDH1A1CYP1A2POLBCYP3A4
SCHEMBL9828354 0.73 CTSD (0.55) SMN1; SMN2CA2ALDH1A1CYP1A2POLB

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-0764149-B1 NOVEL FARNESYL TRANSFERASE INHIBITORS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE POULENC RORER SA (FR) 1999-01-20 EP disclosed
EP-0764149-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 1997-03-26 EP disclosed
WO-1995034535-A1 NOVEL FARNESYL TRANSFERASE INHIBITORS, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1995-12-21 WO disclosed