SCHEMBL6853101

SCHEMBL6853101

CC1(C)Oc2ccc(C(=O)Cn3c(=N)n(Cc4ccccc4)c4ccccc43)cc2O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.58
KMT2A Q03164 6/20 0.58
MITF O75030 4/20 0.58
KDM4E B2RXH2 3/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 1/20 0.58
F2R P25116 4/20 0.57
MEN1 O00255 3/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 4/20 0.52
TP53 P04637 1/20 0.52
LMNA P02545 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
ATM Q13315 3/20 0.50
XBP1 P17861 1/20 0.50
OXTR P30559 1/20 0.49
AVPR1A P37288 1/20 0.49

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
Bromide SCHEMBL6748395 0.99 MAPT (0.60) MAPTKMT2AMITFKDM4EHTT
SCHEMBL6849882 0.86 MAPT (0.52) MAPTKMT2AMITFKDM4EHTT
Bromide SCHEMBL6748423 0.85 KMT2A (0.54) MAPTKMT2AMITFKDM4EHTT
Bromide SCHEMBL6750264 0.83 F2R (0.68) MAPTKMT2AMITFKDM4EHTT
Bromide SCHEMBL6746356 0.82 MAPT (0.59) MAPTKMT2AMITFKDM4EHTT
Bromide SCHEMBL6750430 0.81 MAPT (0.56) MAPTKMT2AMITFKDM4EHTT
SCHEMBL23440108 0.78 ATM (0.74) MAPTKMT2AMITFKDM4EHTT
SCHEMBL14470550 0.78 MAPT (0.88) MAPTKMT2AMITFKDM4EHTT
Bromide SCHEMBL6748462 0.78 MAPT (0.82) MAPTKMT2AMITFKDM4EHTT
Bromide SCHEMBL6751209 0.77 KMT2A (0.64) MAPTKMT2AMITFKDM4EHTT

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
EP-1394152-A1 2-IMINOIMIDAZOLE DERIVATIVES (1) Eisai Co., Ltd. (JP) 2004-03-03 EP disclosed