SCHEMBL10474339

SCHEMBL10474339

CCOC(=O)C(=CNc1ccc(F)cc1)C(=O)c1ccc(Br)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 4/20 0.51
MAPT P10636 7/20 0.49
NPSR1 Q6W5P4 7/20 0.49
ALDH1A1 P00352 1/20 0.49
KDM4E B2RXH2 4/20 0.45
RECQL P46063 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
GAA P10253 1/20 0.42
EGFR P00533 1/20 0.41
ERBB2 P04626 1/20 0.41
MAPK1 P28482 2/20 0.41
S1PR4 O95977 1/20 0.41
S1PR1 P21453 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL10474338 1.00 DHODH (0.51) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL10474353 0.89 DHODH (0.53) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL10474352 0.89 DHODH (0.53) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL9381550 0.86 DHODH (0.54) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL9381551 0.86 DHODH (0.54) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL3563527 0.84 DHODH (0.55) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL4960329 0.82 DHODH (0.55) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL4960325 0.82 DHODH (0.55) DHODHMAPTNPSR1KDM4ERECQL
SCHEMBL13885846 0.82 DHODH (0.58) DHODHMAPTNPSR1ALDH1A1KDM4E
SCHEMBL3568438 0.80 DHODH (0.55) DHODHMAPTNPSR1ALDH1A1KDM4E

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-4959363-A HERPES VIRUS STERLING DRUG INC. (US) 1990-09-25 US disclosed