SCHEMBL16340385

SCHEMBL16340385

O=C(NCc1ccc(F)cc1)c1ccncc1OBr

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.57
ROCK2 O75116 2/20 0.54
LMNA P02545 2/20 0.52
MAPT P10636 1/20 0.52
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.50
MAPK14 Q16539 1/20 0.50
KMT2A Q03164 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
CCR1 P32246 1/20 0.48
PTGER4 P35408 1/20 0.47
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TP53 P04637 1/20 0.46
GAA P10253 1/20 0.45

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
SCHEMBL5078982 0.74 L3MBTL1 (0.57) L3MBTL1ROCK2LMNAPOLBKMT2A
SCHEMBL24334784 0.74 MAPK14 (0.58) L3MBTL1ROCK2MAPTCYP3A4MAPK14
SCHEMBL24334785 0.73 PTGER4 (0.72) L3MBTL1ROCK2LMNACYP3A4MAPK14
SCHEMBL1569192 0.73 L3MBTL1 (1.00) L3MBTL1ROCK2LMNACYP3A4MAPK14
SCHEMBL15686647 0.71 HPGD (0.81) L3MBTL1LMNAMAPTPOLBKMT2A
SCHEMBL15246138 0.71 NAMPT (0.74) ROCK2NAMPT
SCHEMBL2735040 0.71 KMT2A (0.87) L3MBTL1LMNAMAPTPOLBKMT2A
SCHEMBL12697371 0.71 KMT2A (0.66) L3MBTL1LMNAMAPTKMT2ACYP1A2
SCHEMBL5093565 0.70 HDAC3 (0.64) L3MBTL1ROCK2MAPTPOLBCYP3A4
SCHEMBL15839871 0.70 KDM4C (0.56) L3MBTL1MAPTKMT2AKDM4EALDH1A1

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-2014205593-A1 SUBSTITUTED BENZOFURAN COMPOUNDS AND METHODS OF USE THEREOF FOR TREATMENT OF VIRAL DISEASES MERCK SHARP & DOHME CORP. (US) 2014-12-31 WO disclosed