SCHEMBL18949530

SCHEMBL18949530

CCOC(=O)/C(=C\O)C(=O)c1ccc(Cl)nc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
NPSR1 Q6W5P4 5/20 0.40
MAPT P10636 9/20 0.38
LMNA P02545 4/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
MAPK1 P28482 2/20 0.38
CYP2C9 P11712 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
KDM4E B2RXH2 4/20 0.38
DHODH Q02127 2/20 0.38
GAA P10253 3/20 0.37
RECQL P46063 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
PLIN1 O60240 1/20 0.36
POLB P06746 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 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
SCHEMBL2083264 0.88 MEN1 (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL29980565 0.86 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL29457319 0.86 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2083261 0.86 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2083262 0.86 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2086908 0.85 MEN1 (0.38) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2086904 0.85 MEN1 (0.38) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9145758 0.80 NPSR1 (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL9145755 0.80 NPSR1 (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL2524465 0.78 MEN1 (0.35) MEN1KMT2ANPSR1MAPTLMNA

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-9676774-B2 Compounds and compositions for treatment of cancer SUNESIS PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed