SCHEMBL8306657

SCHEMBL8306657

O=C(c1ncc[nH]1)c1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.58
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
POLB P06746 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.46
MEN1 O00255 2/20 0.46
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
PKM P14618 1/20 0.45
HSD17B10 Q99714 1/20 0.44
FLT1 P17948 1/20 0.43
FLT4 P35916 1/20 0.43
KDR P35968 1/20 0.43

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
SCHEMBL11814190 0.84 MAPT (0.48) KMT2AMAPTTDP1GAAHTT
SCHEMBL11808842 0.80 ALDH1A1 (0.42) KMT2AMAPTMAPK1POLBGAA
SCHEMBL8307733 0.78 KMT2A (0.64) KMT2AHTTALDH1A1SMN1; SMN2RAB9A
SCHEMBL7712778 0.77 NPC1 (0.62) KMT2AMAPTMAPK1POLBTDP1
SCHEMBL11813706 0.77 SMN1; SMN2 (0.51) KMT2AMAPTMAPK1POLBTDP1
SCHEMBL7569730 0.77 KMT2A (0.51) KMT2AMAPTMAPK1POLBTDP1
SCHEMBL10757464 0.76 CES2 (0.54) KMT2AMAPTHTTNPSR1ALDH1A1
SCHEMBL7079685 0.76 CYP1A2 (0.58) KMT2AMAPTMAPK1POLBTDP1
SCHEMBL8307409 0.75 NPC1 (0.66) KMT2AMAPTMAPK1POLBTDP1
SCHEMBL8305642 0.74 KMT2A (0.54) KMT2AMAPTMAPK1POLBTDP1

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