SCHEMBL28050435

SCHEMBL28050435

CC(C)c1cc2cc(Br)ccc2cc1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.47
GABRA1 P14867 3/20 0.44
GABRB1 P18505 2/20 0.44
LMNA P02545 4/20 0.41
SLC6A2 P23975 2/20 0.41
HTR2B P41595 2/20 0.41
TRPA1 O75762 1/20 0.41
CHRM1 P11229 1/20 0.41
ADRA1A P35348 1/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MCL1 Q07820 2/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALOX15 P16050 1/20 0.38
ERN1 O75460 1/20 0.38
NCEH1 Q6PIU2 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
SCHEMBL22214043 0.81 CYP1A2 (0.50) GABRA1LMNASLC6A2HTR2BTRPA1
SCHEMBL10331781 0.81 CYP1A2 (0.50) GABRA1LMNASLC6A2HTR2BTRPA1
SCHEMBL3143555 0.80 CYP2A6 (0.56) CYP2A6KDM4EMEN1MAPTKMT2A
SCHEMBL17707911 0.79 TRPA1 (0.47) GABRA1LMNASLC6A2HTR2BTRPA1
SCHEMBL8897330 0.79 TRPA1 (0.47) GABRA1LMNASLC6A2HTR2BTRPA1
SCHEMBL16169461 0.79 GABRA1 (0.50) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL282835 0.78 GABRA1 (0.58) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL31182212 0.78 GABRA1 (0.58) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL6400171 0.78 GABRA1 (0.54) GABRA1GABRB1LMNASLC6A2HTR2B
SCHEMBL4912678 0.78 LMNA (0.59) GABRA1GABRB1LMNASLC6A2HTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105272933-A 5-naphthyl-2-amino-benzo[d]oxazole derivative, preparation method and uses thereof ZHANG HAO 2016-01-27 CN claimed
CN-105272933-A 5-naphthyl-2-amino-benzo[d]oxazole derivative, preparation method and uses thereof ZHANG HAO 2016-01-27 CN disclosed