SCHEMBL12469258

SCHEMBL12469258

COc1c[c]ccc1Oc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.50
SMN1; SMN2 Q16637 9/20 0.50
LMNA P02545 6/20 0.50
HTT P42858 4/20 0.50
HSPB1 P04792 2/20 0.50
BLM P54132 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
PABPC1 P11940 2/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.44
RGS12 O14924 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 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
SCHEMBL4712158 0.86 HSPB1 (0.51) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL25200788 0.82 HSPB1 (0.59) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL4715000 0.77 MAPT (0.57) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL4715002 0.77 MAPT (0.57) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL4714612 0.76 HSPB1 (0.68) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL10983574 0.76 HSPB1 (0.55) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL1980920 0.76 HSPB1 (0.55) MAPTSMN1; SMN2LMNAHTTHSPB1
SCHEMBL1851173 0.75 KMT2A (0.70) MAPTHTTHSPB1MEN1KMT2A
SCHEMBL30850667 0.75 KMT2A (0.70) MAPTHTTHSPB1MEN1KMT2A
SCHEMBL27449389 0.75 HSPB1 (0.70) MAPTSMN1; SMN2LMNAHTTHSPB1

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-2624833-A1 4- (METHYLAMINOPHENOXY) PYRDIN- 3 - YL - BENZAMIDE DERIVATIVES FOR TREATING CANCER Otsuka Pharmaceutical Co., Ltd. (JP) 2013-08-14 EP disclosed
WO-2012046825-A1 4- (METHYLAMINOPHENOXY) PYRDIN- 3 - YL - BENZAMIDE DERIVATIVES FOR TREATING CANCER OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-12 WO disclosed