SCHEMBL6269809

SCHEMBL6269809

C=Cc1nc2cccc(-c3ccccc3)c2nc1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.38
MET P08581 1/20 0.37
TOP1 P11387 3/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
DHODH Q02127 1/20 0.36
KDM4E B2RXH2 3/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
PKM P14618 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MAPT P10636 2/20 0.34
MAPK1 P28482 2/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL5987759 0.81 KMT2A (0.56) MEN1KMT2AL3MBTL1METTOP1
SCHEMBL23946315 0.76 KDM4E (0.65) MEN1KMT2AL3MBTL1METTOP1
SCHEMBL27884276 0.76 PIM1 (0.53) MEN1KMT2AL3MBTL1METTOP1
SCHEMBL29645242 0.74 GAA (0.52) MEN1KMT2AL3MBTL1METTOP1
SCHEMBL2517043 0.74 GAA (0.52) MEN1KMT2AL3MBTL1METTOP1
SCHEMBL6261668 0.72 KMT2A (0.50) MEN1KMT2AL3MBTL1CYP3A4CYP2C9
SCHEMBL23946291 0.72 KDM4E (0.65) MEN1KMT2AL3MBTL1METTOP1
Hydrochloric Acid SCHEMBL14871696 0.72 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1METTOP1
Hydrochloric Acid SCHEMBL31201120 0.72 ALDH1A1 (0.50) MEN1KMT2AL3MBTL1METTOP1
SCHEMBL21667465 0.71 MEN1 (0.49) MEN1KMT2AL3MBTL1CYP3A4CYP2C8

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-1186067-B1 CONDUCTING POLYMERS QINETIQ LTD (GB) 2005-10-05 EP disclosed
US-6716371-B1 SEMICONDUCTOR WITH LAYER OF ADDITION POLYMER WITH PENDANT QUINOXALINE GROUPS QINETIQ LIMITED (GB) 2004-04-06 US disclosed
EP-1186067-A1 CONDUCTING POLYMERS QinetiQ Limited (GB) 2002-03-13 EP disclosed
WO-2000070692-A1 CONDUCTING POLYMERS QINETIQ LIMITED (GB) 2000-11-23 WO disclosed