SCHEMBL18901936

SCHEMBL18901936

C=Cc1c(/C=C(\C)OC)ccnc1C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 14/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MAPK1 P28482 2/20 0.35
ASPH Q12797 4/20 0.34
KDM8 Q8N371 4/20 0.34
KDM6B O15054 1/20 0.33
KDM5C P41229 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
KDM3A Q9Y4C1 1/20 0.33
ALOX15 P16050 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
ALDH1A1 P00352 4/20 0.32
CYP3A4 P08684 1/20 0.32
BLM P54132 1/20 0.32
AGER Q15109 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 2/20 0.31

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
SCHEMBL2148123 0.80 KDM4E (0.42) MAPTTSHRKDM4ENPSR1ASPH
SCHEMBL6566964 0.76 KDM4E (0.41) MAPTTSHRKDM4ENPSR1ASPH
SCHEMBL28802257 0.69 KDM4E (0.49) MAPTTSHRKDM4ENPSR1ASPH
SCHEMBL28521418 0.67 KDM4E (0.46) MAPTTSHRKDM4ENPSR1ASPH
SCHEMBL18089754 0.67 THRA (0.40) TSHRL3MBTL1ALDH1A1
SCHEMBL548552 0.65 KDM4E (0.43) MAPTTSHRKDM4ENPSR1ASPH
SCHEMBL27883713 0.65 L3MBTL1 (0.42) KDM4ENPSR1MAPK1ASPHKDM8
SCHEMBL23970772 0.63 TDP1 (0.39) KDM4ENPSR1MAPK1ASPHKDM8
SCHEMBL3677764 0.63 KDM4E (0.38) MAPTTSHRKDM4ENPSR1MAPK1
SCHEMBL25652150 0.63 KDM4E (0.40) TSHRKDM4EKDM6BKDM5CKDM4C

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
EP-2328865-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-05-31 EP disclosed