SCHEMBL9681433

SCHEMBL9681433

COC(=O)c1ccc2c(c1)C(c1cccn(Cc3ccccc3)c1=O)=CC(C)(C)O2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFTR P13569 2/20 0.42
BRD4 O60885 2/20 0.40
BRD2 P25440 1/20 0.40
BRD3 Q15059 1/20 0.40
BRDT Q58F21 1/20 0.40
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
IDO1 P14902 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
TP53 P04637 1/20 0.38
MEN1 O00255 1/20 0.38
PTGER3 P43115 1/20 0.38
KMT2A Q03164 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
MAPK10 P53779 1/20 0.38
CNR2 P34972 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9682059 0.91 MAPT (0.45) BRD4MAPTALDH1A1KDM4ETP53
SCHEMBL9680406 0.89 POLB (0.45) BRD4BRD2BRD3BRDTPOLB
SCHEMBL9680402 0.89 RARA (0.39) BRD4POLBMAPTALDH1A1KDM4E
SCHEMBL9680331 0.83 RARA (0.40) POLBMAPTALDH1A1MEN1KMT2A
SCHEMBL9680897 0.83 ALDH1A1 (0.43) BRD4BRD2BRD3BRDTPOLB
SCHEMBL9680903 0.82 SMN1; SMN2 (0.41) BRD4BRD2BRD3BRDTMAPT
SCHEMBL9682106 0.82 ALDH1A1 (0.42) BRD4BRD2BRD3BRDTPOLB
SCHEMBL9681507 0.80 CASP1 (0.42) CFTRMAPTALDH1A1KDM4EGLA
SCHEMBL9681489 0.80 ALDH1A1 (0.41) BRD4BRD2BRD3BRDTPOLB
SCHEMBL12365911 0.78 RARA (0.43) POLBMAPTALDH1A1KDM4ETP53

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