SCHEMBL5314804

SCHEMBL5314804

COc1cc(O)ccc1[N+](=O)[O-].COc1cc(OCCCl)ccc1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ALDH1A1 P00352 7/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 7/20 0.44
LMNA P02545 3/20 0.42
HPGD P15428 1/20 0.41
BACE1 P56817 3/20 0.41
MAPK1 P28482 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MEN1 O00255 2/20 0.41
KDM4E B2RXH2 2/20 0.41
RECQL P46063 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL2964413 0.92 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17197367 0.87 SMN1; SMN2 (0.52) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL224904 0.82 ALDH1A1 (0.56) KMT2AALDH1A1L3MBTL1MAPTLMNA
SCHEMBL2969471 0.81 ALDH1A1 (0.52) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3534158 0.81 RAB9A (0.56) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL657693 0.81 CHEK1 (0.53) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6377931 0.80 KMT2A (0.57) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1697621 0.80 MAPT (0.67) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5012954 0.79 MAPT (0.45) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL22955262 0.79 KMT2A (0.52) KMT2ANPC1RAB9ASMN1; SMN2ALDH1A1

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-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 EP disclosed
EP-1802586-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE Amgen Inc. (US) 2007-07-04 EP disclosed
WO-2006044823-A2 HETEROARYL-SUBSTITUTED ALKYNE COMPOUNDS AND METHOD OF USE AMGEN INC. (US) 2006-04-27 WO disclosed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 WO disclosed