SCHEMBL27720646

SCHEMBL27720646

c1ccc(COCOc2cccc3ccccc23)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.56
MRGPRX4 Q96LA9 1/20 0.52
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
HPGD P15428 1/20 0.51
HTR1B P28222 6/20 0.50
HTR1D P28221 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPT P10636 3/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
SLC6A4 P31645 1/20 0.45
HRH1 P35367 1/20 0.45
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45

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
SCHEMBL29568609 0.85 MRGPRX4 (0.67) KCNA3MRGPRX4ALDH1A1KDM4ETDP1
SCHEMBL27629 0.85 MRGPRX4 (0.67) KCNA3MRGPRX4ALDH1A1KDM4ETDP1
SCHEMBL5623190 0.84 MAOB (0.44) KCNA3MRGPRX4ALDH1A1TDP1HTR1B
SCHEMBL16902842 0.81 HTR1B (0.64) KCNA3ALDH1A1KDM4ETDP1HPGD
Biphenyl SCHEMBL4609497 0.81 MRGPRX4 (0.61) KCNA3MRGPRX4ALDH1A1KDM4ETDP1
SCHEMBL9574725 0.80 MAPT (0.67) KCNA3MRGPRX4ALDH1A1KDM4ETDP1
SCHEMBL23499970 0.79 KCNA3 (0.54) KCNA3ALDH1A1KDM4ETDP1HPGD
SCHEMBL30186241 0.79 KCNA3 (0.54) KCNA3ALDH1A1KDM4ETDP1HPGD
SCHEMBL3629367 0.77 RAB9A (0.48) MRGPRX4ALDH1A1KDM4EHPGDKMT2A
SCHEMBL10455671 0.76 HTR1B (0.58) KCNA3ALDH1A1KDM4EHTR1BHTR1D

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
CN-101305010-A Raf inhibitor compounds and methods of use thereof ARRAY BIOPHARMA INC (US) 2008-11-12 CN disclosed