SCHEMBL9682059

SCHEMBL9682059

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
THRB P10828 1/20 0.45
LMNA P02545 2/20 0.42
F2RL3 Q96RI0 1/20 0.41
RECQL P46063 2/20 0.39
MAPK10 P53779 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
PRMT1 Q99873 1/20 0.38
GLA P06280 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
TDP2 O95551 1/20 0.38
NSD2 O96028 1/20 0.38
PLCG1 P19174 1/20 0.38
PAX8 Q06710 1/20 0.38
RARA P10276 1/20 0.37
RARB P10826 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
SCHEMBL9681433 0.91 CFTR (0.42) MAPTLMNAMAPK10MEN1KMT2A
SCHEMBL9680406 0.87 POLB (0.45) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9680897 0.82 ALDH1A1 (0.43) MAPTLMNARECQLSMN1; SMN2MEN1
SCHEMBL9682106 0.81 ALDH1A1 (0.42) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9680903 0.81 SMN1; SMN2 (0.41) MAPTTHRBLMNASMN1; SMN2MEN1
SCHEMBL9681507 0.79 CASP1 (0.42) MAPTRECQLALDH1A1KDM4EGLA
SCHEMBL9681489 0.79 ALDH1A1 (0.41) MAPTLMNASMN1; SMN2MEN1KMT2A
SCHEMBL9680374 0.76 ALDH1A1 (0.42) MAPTRECQLSMN1; SMN2MEN1KMT2A
SCHEMBL9194983 0.74 MAPT (0.44) MAPTTHRBLMNAF2RL3RECQL
SCHEMBL9680331 0.74 RARA (0.40) MAPTLMNASMN1; SMN2MEN1KMT2A

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