SCHEMBL13845816

SCHEMBL13845816

Cc1cc(Nc2cc(O)cc(CF)c2)c2ccccc2n1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 2/20 0.53
GUSB P08236 1/20 0.53
MAPT P10636 1/20 0.53
LMNA P02545 1/20 0.51
HTT P42858 3/20 0.50
KDM4E B2RXH2 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 2/20 0.49
POLB P06746 1/20 0.49
GALR3 O60755 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
CYP2C19 P33261 1/20 0.48
ADRA2A P08913 1/20 0.46
ADRA2B P18089 1/20 0.46
ADRA2C P18825 1/20 0.46
OPRK1 P41145 1/20 0.46
MEN1 O00255 1/20 0.45
NCF1 P14598 1/20 0.44

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
SCHEMBL4830001 0.81 L3MBTL1 (0.55) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4825454 0.81 L3MBTL1 (0.58) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4828176 0.81 L3MBTL1 (0.58) L3MBTL1NPC1GUSBMAPTLMNA
Bromide SCHEMBL3980221 0.81 L3MBTL1 (0.54) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL4633311 0.79 TSHR (0.67) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL13845817 0.79 HTT (0.52) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL10032067 0.79 NPC1 (0.71) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL31673809 0.77 LMNA (0.73) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL15101603 0.77 LMNA (0.73) L3MBTL1NPC1GUSBMAPTLMNA
SCHEMBL1061819 0.74 LMNA (0.65) L3MBTL1NPC1GUSBMAPTLMNA

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
WO-2009063364-A2 MODULATORS OF UROTENSIN RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS INC. (US) 2009-05-22 WO disclosed