SCHEMBL13846009

SCHEMBL13846009

COCCCCOc1ccccc1I

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 5/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.42
PTK2B Q14289 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ADRB2 P07550 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HTR1B P28222 1/20 0.38

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
SCHEMBL1144675 0.96 SMN1; SMN2 (0.44) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL30519457 0.90 MAPT (0.42) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL1144804 0.90 MAPT (0.42) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL22005040 0.89 KDM4E (0.44) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL22005008 0.87 NPC1 (0.47) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL2705419 0.85 KDM4E (0.44) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL797140 0.85 L3MBTL1 (0.49) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL9598552 0.84 CYP1A2 (0.53) L3MBTL1TDP1MAPTLMNACYP1A2
SCHEMBL22005000 0.83 MAPT (0.50) L3MBTL1TDP1KDM4EGAAMAPT
SCHEMBL4660995 0.82 LMNA (0.54) L3MBTL1MAPTALDH1A1LMNACYP1A2

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-2009064955-A1 MACROCYCLIC TETRAZOLYL HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2009-05-22 WO disclosed