SCHEMBL1052801

SCHEMBL1052801

O=C(O)C1=CCNc2ccccc21.[NaH]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.34
MAPT P10636 4/20 0.33
ALDH1A1 P00352 4/20 0.33
PTPRC P08575 2/20 0.33
LMNA P02545 2/20 0.33
PIM1 P11309 1/20 0.33
GAA P10253 1/20 0.33
DAO P14920 1/20 0.32
TSHR P16473 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
ALOX15 P16050 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
SRD5A2 P31213 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
LIG1 P18858 1/20 0.32

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
SCHEMBL320995 0.98 NOS2 (0.35) NOS2MAPTALDH1A1PTPRCLMNA
SCHEMBL30440575 0.98 NOS2 (0.35) NOS2MAPTALDH1A1PTPRCLMNA
Hydrochloric Acid SCHEMBL6271322 0.96 NOS2 (0.34) NOS2MAPTALDH1A1PTPRCLMNA
Hydrochloric Acid SCHEMBL1768618 0.96 NOS2 (0.34) NOS2MAPTALDH1A1PTPRCLMNA
Hydrochloric Acid SCHEMBL27972450 0.95 NOS2 (0.33) NOS2MAPTALDH1A1PTPRCLMNA
SCHEMBL28031614 0.89 ALDH1A1 (0.33) MAPTALDH1A1PTPRCLMNAMEN1
SCHEMBL30239049 0.84 NOS2 (0.37) NOS2MAPTALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL6671312 0.82 NOS2 (0.36) NOS2MAPTALDH1A1TSHRMEN1
SCHEMBL14829873 0.81 NOS2 (0.32) NOS2MEN1KMT2ANPC1RAB9A
SCHEMBL27460826 0.81 ALDH1A1 (0.37) NOS2MAPTALDH1A1LMNARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2501680-A1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO et al (SI) 2012-09-26 EP disclosed
CN-102105469-A Heterocyclic urea derivatives for the treatment of bacterial infections ASTRAZENECA AB 2011-06-22 CN disclosed
WO-2011061292-A1 A PROCESS FOR A PREPARATION OF MARBOFLOXACIN AND INTERMEDIATE THEREOF KRKA, TOVARNA ZDRAVIL, D.D., NOVO MESTO (SI) 2011-05-26 WO disclosed
WO-2011004389-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF ELVITEGRAVIR MATRIX LABORATORIES LTD (IN) 2011-01-13 WO disclosed