SCHEMBL30353437

SCHEMBL30353437

NC(=O)C=Cc1cc(Br)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 1/20 0.56
▸ MAPT P10636 3/20 0.56
▸ HSP90AA1 P07900 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ CA12 O43570 2/20 0.56
▸ CA9 Q16790 2/20 0.56
▸ KMT2A Q03164 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ GAA P10253 1/20 0.54
▸ PELI1 Q96FA3 2/20 0.53
▸ AR P10275 2/20 0.53
▸ CCNC P24863 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ CASP1 P29466 2/20 0.44
▸ CES2 O00748 1/20 0.44
▸ GALR3 O60755 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44

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
SCHEMBL13636232 1.00 ERN1 (0.56) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL19813877 1.00 ERN1 (0.56) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL31238165 0.85 ERN1 (0.60) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL3864314 0.84 ERN1 (0.58) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL3864311 0.84 ERN1 (0.58) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL31289388 0.82 MAPT (0.58) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL11343000 0.80 ERN1 (0.68) ERN1MAPTHSP90AA1MAPK1NPSR1
SCHEMBL11343002 0.80 ERN1 (0.68) ERN1MAPTHSP90AA1MAPK1NPSR1
Water SCHEMBL11694970 0.80 ALDH1A1 (0.60) MAPTKMT2AKDM4EGAAPELI1
SCHEMBL6095141 0.80 PELI1 (0.54) MAPTKMT2AKDM4EGAAPELI1

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-109661387-B Composition for treating pulmonary fibrosis 维克图斯生物系统有限公司 2023-05-30 — — CN disclosed
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