SCHEMBL17883370

SCHEMBL17883370

N#Cc1cc2c(Oc3ccc(F)cc3OCCn3ccc(=O)[nH]c3=O)cc(Cl)cn2c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
DUT P33316 14/20 0.35
KCNH2 Q12809 1/20 0.32
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL16632520 0.93 L3MBTL1 (0.49) L3MBTL1DUTKCNH2CYP1A2CYP2C19
SCHEMBL16632609 0.93 L3MBTL1 (0.40) L3MBTL1DUTGRIN1GRIN2BMEN1
SCHEMBL16632343 0.90 L3MBTL1 (0.37) L3MBTL1DUTGRIN1GRIN2BMEN1
SCHEMBL16632519 0.89 L3MBTL1 (0.39) L3MBTL1DUTGRIN1GRIN2BMEN1
SCHEMBL16632538 0.88 L3MBTL1 (0.40) L3MBTL1DUTGRIN1GRIN2BMEN1
SCHEMBL16632647 0.86 L3MBTL1 (0.47) L3MBTL1DUTCYP1A2CYP2C19
SCHEMBL16632643 0.86 L3MBTL1 (0.40) L3MBTL1DUTMEN1ALDH1A1MAPT
SCHEMBL16632570 0.85 L3MBTL1 (0.39) L3MBTL1DUTGRIN1GRIN2BMEN1
SCHEMBL16632595 0.81 L3MBTL1 (0.44) L3MBTL1DUTKCNH2GRIN1GRIN2B
SCHEMBL16632738 0.81 L3MBTL1 (0.40) L3MBTL1DUTMEN1ALDH1A1MAPT

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-9382245-B2 Compounds and methods for treating HIV infections YALE UNIVERSITY (US) 2016-07-05 US disclosed