SCHEMBL11299641

SCHEMBL11299641

COc1ccc(C(=[N+]=[N-])c2ccc(OC)cc2C)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
MAPK1 P28482 1/20 0.41
RAD52 P43351 1/20 0.40
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 2/20 0.38
POLB P06746 1/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
PGR P06401 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37

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
SCHEMBL11302847 0.81 MAPT (0.56) HTTMAPTNPSR1NPC1RAB9A
SCHEMBL7190734 0.76 TDP1 (0.43) HTTMAPTNPC1RAB9AALDH1A1
SCHEMBL11804424 0.75 HTT (0.62) HTTMAPTNPSR1NPC1RAB9A
SCHEMBL11301669 0.74 CES2 (0.52) MAPTNPSR1ALDH1A1HPGDMAPK1
SCHEMBL634335 0.73 HTT (0.65) HTTNPC1RAB9AALDH1A1HPGD
SCHEMBL1539315 0.73 ALDH1A1 (0.67) HTTMAPTNPSR1NPC1RAB9A
SCHEMBL31003335 0.73 ALDH1A1 (0.67) HTTMAPTNPSR1NPC1RAB9A
SCHEMBL16078417 0.73 HTT (0.51) HTTMAPTNPSR1NPC1RAB9A
SCHEMBL1179412 0.72 HTT (0.58) HTTMAPTNPSR1NPC1RAB9A
SCHEMBL1536363 0.72 HTT (0.58) HTTMAPTNPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4280819-A FUEL ADDITIVES ALSO FOR JET FUELS GULF RESEARCH & DEVELOPMENT COMPANY (US) 1981-07-28 US disclosed