SCHEMBL6846941

SCHEMBL6846941

COc1c(C(C)(C)C)cc(C(=O)Cn2c(=N)n(Cc3ccccc3)c3ccccc32)cc1C(C)(C)C

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 9/20 0.78
MAPT P10636 7/20 0.57
KDM4E B2RXH2 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
KMT2A Q03164 5/20 0.56
MEN1 O00255 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
NPSR1 Q6W5P4 2/20 0.53
MITF O75030 2/20 0.53
HTT P42858 1/20 0.53
ALDH1A1 P00352 1/20 0.53
TSHR P16473 1/20 0.52
OXTR P30559 1/20 0.52
AVPR1A P37288 1/20 0.52
BLM P54132 1/20 0.52
TP53 P04637 1/20 0.50
NPC1 O15118 1/20 0.49
HPGD P15428 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 SCHEMBL6751125 0.99 F2R (0.77) F2RMAPTKDM4ESMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL6751175 0.92 F2R (0.69) F2RMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL12393183 0.88 F2R (1.00) F2RMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL6847012 0.88 F2R (0.83) F2RMAPTKDM4ESMN1; SMN2LMNA
Bromide SCHEMBL6753340 0.87 F2R (0.81) F2RMAPTKDM4ESMN1; SMN2LMNA
Bromide SCHEMBL2351227 0.87 F2R (0.98) F2RMAPTKDM4ESMN1; SMN2LMNA
Bromide SCHEMBL6752696 0.86 F2R (0.70) F2RMAPTKDM4ESMN1; SMN2LMNA
SCHEMBL6851055 0.86 F2R (0.63) F2RMAPTKDM4ESMN1; SMN2LMNA
Bromide SCHEMBL6750402 0.85 F2R (0.62) F2RMAPTKDM4ESMN1; SMN2LMNA
Bromide SCHEMBL6750576 0.85 F2R (0.68) F2RMAPTKDM4ESMN1; SMN2LMNA

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