SCHEMBL6152409

SCHEMBL6152409

BrCc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.56
KDM4E B2RXH2 9/20 0.56
L3MBTL1 Q9Y468 5/20 0.56
KMT2A Q03164 3/20 0.56
ATM Q13315 1/20 0.56
TLR9 Q9NR96 1/20 0.56
ERBB2 P04626 1/20 0.53
HPGD P15428 6/20 0.51
GAA P10253 4/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TDP1 Q9NUW8 3/20 0.49
LMNA P02545 5/20 0.46
MEN1 O00255 2/20 0.46
MAPT P10636 2/20 0.46
GPR55 Q9Y2T6 1/20 0.46
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 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
SCHEMBL14119232 0.85 KDM4E (0.58) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL10593876 0.83 NQO2 (0.50) ALDH1A1KDM4EL3MBTL1KMT2AERBB2
SCHEMBL18821935 0.80 NQO2 (0.39) ALDH1A1KDM4EL3MBTL1KMT2AERBB2
SCHEMBL1301829 0.77 ALDH1A1 (0.68) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL10435353 0.76 KDM4E (0.65) ALDH1A1KDM4EL3MBTL1KMT2AATM
Bromide SCHEMBL6260188 0.76 ALDH1A1 (0.49) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL3317867 0.76 KMT2A (0.61) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL12462566 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL27734154 0.75 ALDH1A1 (0.66) ALDH1A1KDM4EL3MBTL1KMT2AATM
SCHEMBL14076261 0.74 ALDH1A1 (0.73) ALDH1A1KDM4EL3MBTL1KMT2AATM

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1186067-B1 CONDUCTING POLYMERS QINETIQ LTD (GB) 2005-10-05 EP disclosed
EP-1183287-B1 ORGANIC SEMICONDUCTORS BASED ON STATISTICAL COPOLYMERS QINETIQ LTD (GB) 2005-01-26 EP disclosed
US-6716371-B1 SEMICONDUCTOR WITH LAYER OF ADDITION POLYMER WITH PENDANT QUINOXALINE GROUPS QINETIQ LIMITED (GB) 2004-04-06 US disclosed
US-6642332-B1 N-heterocyclic hole and electron transporting groups linked to vinyl group of addition polymers; electronic work function; charge carrier mobility; controlled emmission; storage stability; film-forming; light emitting diode QINETIQ LIMITED (GB) 2003-11-04 US disclosed
CN-1352809-A Conductive polymers QINITIK CO LTD (GB) 2002-06-05 CN disclosed
EP-1186067-A1 CONDUCTING POLYMERS QinetiQ Limited (GB) 2002-03-13 EP disclosed
EP-1183287-A1 ORGANIC SEMICONDUCTORS BASED ON STATISTICAL COPOLYMERS QinetiQ Limited (GB) 2002-03-06 EP disclosed
WO-2000070692-A1 CONDUCTING POLYMERS QINETIQ LIMITED (GB) 2000-11-23 WO disclosed
WO-2000069931-A1 ORGANIC SEMICONDUCTORS BASED ON STATISTICAL COPOLYMERS QINETIQ LIMITED (GB) 2000-11-23 WO disclosed