SCHEMBL9680406

SCHEMBL9680406

CC1(C)C=C(c2cccn(Cc3ccccc3)c2=O)c2cc(C(N)=O)ccc2O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
BRD4 O60885 3/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
GLA P06280 2/20 0.39
GAA P10253 2/20 0.39
BRD2 P25440 1/20 0.39
BRD3 Q15059 1/20 0.39
BRDT Q58F21 1/20 0.39
ADRA1D P25100 1/20 0.38
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
RARA P10276 1/20 0.38
RARB P10826 1/20 0.38
RARG P13631 1/20 0.38
LMNA P02545 1/20 0.37
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
HDAC3 O15379 1/20 0.36

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
SCHEMBL9681433 0.89 CFTR (0.42) POLBRXFP1BRD4KDM4EALDH1A1
SCHEMBL9682059 0.87 MAPT (0.45) RXFP1BRD4KDM4EALDH1A1GLA
SCHEMBL9680897 0.85 ALDH1A1 (0.43) POLBBRD4KDM4EALDH1A1GLA
SCHEMBL9680903 0.84 SMN1; SMN2 (0.41) BRD4KDM4EALDH1A1GLAGAA
SCHEMBL9682106 0.84 ALDH1A1 (0.42) POLBBRD4KDM4EALDH1A1GLA
SCHEMBL9681507 0.82 CASP1 (0.42) KDM4EALDH1A1GLAGAAMAPT
SCHEMBL9681489 0.82 ALDH1A1 (0.41) POLBBRD4KDM4EALDH1A1GLA
SCHEMBL9680402 0.77 RARA (0.39) POLBBRD4KDM4EALDH1A1MAPT
SCHEMBL9193746 0.72 POLB (0.44) POLBRXFP1BRD4KDM4EALDH1A1
SCHEMBL9682898 0.71 RARA (0.32) KDM4EMAPTRARARARBRARG

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