SCHEMBL18947752

SCHEMBL18947752

C=CCCCCCOc1cc(Br)ccc1C(=O)CBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
LSS P48449 12/20 0.40
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.38
TSHR P16473 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.37
EGFR P00533 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL1110731 0.81 SMN1; SMN2 (0.44) LMNAHPGDMEN1KMT2A
SCHEMBL21043357 0.79 KDM4E (0.46) KDM4ELMNAALDH1A1HPGDKMT2A
SCHEMBL2233562 0.77 ALDH1A1 (0.42) KDM4ELMNAALDH1A1L3MBTL1HPGD
SCHEMBL616907 0.75 TDP1 (0.42) KDM4EALDH1A1L3MBTL1TDP1KDR
SCHEMBL5057172 0.75 KDM4E (0.50) KDM4ELMNAALDH1A1L3MBTL1HPGD
SCHEMBL18947751 0.74 MEN1 (0.32) KDM4ELMNALSSALDH1A1L3MBTL1
SCHEMBL2236603 0.72 KDM4E (0.41) KDM4ELMNAALDH1A1L3MBTL1TSHR
SCHEMBL614689 0.72 KDM4E (0.68) KDM4ELMNAALDH1A1L3MBTL1HPGD
SCHEMBL9699860 0.72 HPGD (0.43) KDM4ELMNALSSALDH1A1L3MBTL1
SCHEMBL9710314 0.72 HPGD (0.43) KDM4ELMNALSSALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed
US-9676802-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2017-06-13 US disclosed