SCHEMBL9564491

SCHEMBL9564491

CCOC(=O)c1cc(=O)c2cc([N+](=O)[O-])c(Cl)cc2n1C1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.54
MAPT P10636 5/20 0.50
ALDH1A1 P00352 4/20 0.50
LMNA P02545 3/20 0.50
NPC1 O15118 1/20 0.49
VCAM1 P19320 1/20 0.44
ALOX12 P18054 1/20 0.37
THRB P10828 1/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 2/20 0.36
CA9 Q16790 2/20 0.36
KDM4E B2RXH2 1/20 0.36
RECQL P46063 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GALR2 O43603 1/20 0.35
MITF O75030 1/20 0.35
HSP90AA1 P07900 1/20 0.35

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
SCHEMBL9564442 0.83 CA12 (0.41) POLBMAPTALDH1A1LMNANPC1
SCHEMBL9564473 0.82 GPR174 (0.44) MAPTALDH1A1LMNAKMT2ASMN1; SMN2
SCHEMBL9564452 0.78 NPC1 (0.53) POLBMAPTALDH1A1LMNANPC1
SCHEMBL10473197 0.78 POLB (0.71) POLBMAPTALDH1A1LMNANPC1
SCHEMBL9564489 0.75 MEN1 (0.37) POLBMAPTALDH1A1LMNAMEN1
SCHEMBL9564507 0.75 RXFP1 (0.40) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL9564450 0.75 MEN1 (0.40) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL8857586 0.74 POLB (0.46) POLBMAPTALDH1A1LMNANPC1
SCHEMBL9564469 0.69 LGMN (0.41) MAPTALDH1A1LMNAMEN1KMT2A
SCHEMBL23037281 0.69 TOP2A (0.47) ALDH1A1NPC1KMT2ARAB9AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0531958-A1 6-Aminoquinolones, their synthesis and their use as antibacterial agents MEDIOLANUM FARMACEUTICI S.P.A. (IT) 1993-03-17 EP disclosed