SCHEMBL9680894

SCHEMBL9680894

Cn1cccc(C2=CC(C)(C)Oc3ccc(Br)cc32)c1=O

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARA P10276 2/20 0.33
RARB P10826 2/20 0.33
RARG P13631 2/20 0.33
PBRM1 Q86U86 1/20 0.32
NPSR1 Q6W5P4 3/20 0.31
CTSD P07339 1/20 0.31
BACE1 P56817 1/20 0.31
PTPRC P08575 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
MALT1 Q9UDY8 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL9682898 0.85 RARA (0.32) RARARARBRARGNPSR1MAPT
SCHEMBL9682156 0.82 ALDH1A1 (0.38) PTPRCMEN1KMT2ARAB9AMALT1
SCHEMBL9682813 0.82 PDE4A (0.37) MALT1
SCHEMBL9682106 0.81 ALDH1A1 (0.42) NPSR1MEN1KMT2AMAPTHTT
SCHEMBL9680331 0.80 RARA (0.40) RARARARBRARGNPSR1MEN1
SCHEMBL9680365 0.77 PBRM1 (0.35) RARARARBRARGPBRM1PTPRC
SCHEMBL24727857 0.71 RARA (0.54) RARARARBRARGPBRM1NPSR1
SCHEMBL9527732 0.69 ABCC9 (0.41) RARARARBRARG
SCHEMBL8085076 0.69 NPSR1 (0.34) PBRM1NPSR1PTPRCMEN1KMT2A
SCHEMBL9524965 0.68 ADRA1A (0.39) RARARARBRARGCTSDBACE1

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-5112839-A CHROMAN DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-05-12 US disclosed