SCHEMBL9016248

SCHEMBL9016248

COc1ccc(CCN(Cc2ccccc2)CC(O)CSc2cccc(C(F)(F)F)c2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 2/20 0.46
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SIGMAR1 Q99720 2/20 0.40
EBP Q15125 1/20 0.40
TMEM97 Q5BJF2 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
BLM P54132 1/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL9016251 0.84 ALDH1A1 (0.56) L3MBTL1KDM4ETDP1HTR2AHTR2C
SCHEMBL9016255 0.81 L3MBTL1 (0.52) L3MBTL1KDM4EHTR2AHTR2CHTR2B
SCHEMBL1966445 0.74 L3MBTL1 (0.65) L3MBTL1KDM4EHTR2AHTR2CHTR2B
SCHEMBL2325918 0.73 L3MBTL1 (0.80) L3MBTL1KDM4EHTR2AHTR2CHTR2B
SCHEMBL9016222 0.72 KCNH2 (0.61) L3MBTL1KDM4EHTR2AHTR2CHTR2B
SCHEMBL9016218 0.72 POLB (0.55) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL9016240 0.72 MEN1 (0.58) L3MBTL1KDM4EHTR2AHTR2CHTR2B
SCHEMBL11543319 0.71 KDM4E (0.56) L3MBTL1KDM4EHTR2AHTR2CHTR2B
Methyl Alcohol SCHEMBL11168025 0.70 MEN1 (0.56) L3MBTL1HTR2AHTR2CHTR2BALDH1A1
SCHEMBL11707720 0.70 KDM4E (0.58) L3MBTL1KDM4EHTR2AHTR2CHTR2B

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-5482964-A ANTIEPILEPTIC WARNER-LAMBERT COMPANY (US) 1996-01-09 US disclosed