SCHEMBL8307409

SCHEMBL8307409

O=C(c1ccccn1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
POLB P06746 2/20 0.66
PKM P14618 1/20 0.66
ALDH1A1 P00352 1/20 0.64
TP53 P04637 1/20 0.64
MAPT P10636 4/20 0.57
PDE7A Q13946 1/20 0.55
KMT2A Q03164 3/20 0.55
HTT P42858 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPK1 P28482 2/20 0.51
GAA P10253 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
KDR P35968 2/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL9389382 0.89 MAPT (0.66) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL13862605 0.83 MAPT (0.56) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL11612838 0.80 ALDH1A1 (0.62) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL28335130 0.80 KMT2A (0.63) NPC1RAB9APKMALDH1A1MAPT
SCHEMBL6314599 0.79 MAPK1 (0.68) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL23406613 0.78 RAB9A (0.54) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL8618810 0.78 ALDH1A1 (1.00) NPC1RAB9APOLBALDH1A1TP53
SCHEMBL8305769 0.77 RAB9A (0.49) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL28337455 0.77 GRM4 (0.60) NPC1RAB9APOLBPKMALDH1A1
SCHEMBL28337424 0.77 RAB9A (0.53) NPC1RAB9APOLBPKMALDH1A1

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-0790986-B1 ANILINE DERIVATIVES ZENECA LTD (GB) 1999-01-20 EP disclosed
US-5821246-A USEFUL AS TYROSINE KINASE INHIBITORS AND FOR THE TREATMENT OF PROLIFERATIVE DISEASES SUCH AS CANCER ZENECA LIMITED (GB) 1998-10-13 US disclosed
EP-0790986-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1997-08-27 EP disclosed
WO-1996015118-A1 ANILINE DERIVATIVES ZENECA LIMITED (GB) 1996-05-23 WO disclosed