SCHEMBL7754151

SCHEMBL7754151

O=C(CCc1ccccc1)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.66
ALDH1A1 P00352 3/20 0.60
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
MAPT P10636 4/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
NPC1 O15118 2/20 0.54
MAPK1 P28482 2/20 0.54
PKM P14618 1/20 0.54
TRPA1 O75762 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
TSHR P16473 1/20 0.54
CDK2 P24941 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54

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
SCHEMBL6546363 0.88 LMNA (0.64) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL31541287 0.84 MEN1 (0.52) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL11157919 0.84 MEN1 (0.52) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL11883066 0.84 ALDH1A1 (0.63) LMNAALDH1A1GAAMAPTMEN1
SCHEMBL7753943 0.84 MEN1 (0.58) LMNAALDH1A1RAB9AGAAMAPT
SCHEMBL7754088 0.82 KMT2A (0.58) LMNAALDH1A1MAPTKMT2AMAPK1
SCHEMBL7752904 0.81 AKR1C4 (0.67) RAB9AMAPTMEN1KMT2ANPC1
SCHEMBL6545821 0.81 L3MBTL1 (0.68) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL6546924 0.81 KMT2A (0.57) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL7753940 0.81 KMT2A (0.59) LMNAALDH1A1MAPTMEN1KMT2A

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
EP-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed