SCHEMBL14985293

SCHEMBL14985293

c1ccc(Cn2ccc3sccc32)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
TSHR P16473 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
KDM4E B2RXH2 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BRD4 O60885 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.39
NOTUM Q6P988 1/20 0.39
TNF P01375 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
DBH P09172 1/20 0.39
TP53 P04637 1/20 0.38
CYP2D6 P10635 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
SCHEMBL12549799 0.79 KDM4E (0.41) HTR6ALDH1A1KDM4ESMN1; SMN2
SCHEMBL30557637 0.77 CYP2A6 (0.47) HTR6ALDH1A1L3MBTL1CYP11B1CYP11B2
SCHEMBL31021 0.69 HTR6 (0.73) HTR6POLBKMT2A
SCHEMBL29509279 0.69 HTR6 (0.73) HTR6POLBKMT2A
SCHEMBL7174067 0.69 RECQL (0.56) MAPTTHRBALDH1A1POLBTSHR
SCHEMBL14985297 0.68 MAPT (0.60) MAPTTHRBALDH1A1POLBTSHR
SCHEMBL30557651 0.67 MMP2 (0.47) HTR6BRD4CYP11B1CYP11B2
SCHEMBL23749741 0.67 CHRNB2 (0.59) ALDH1A1KDM4EL3MBTL1KMT2ADBH
SCHEMBL29767352 0.67 ALDH1A1 (0.49) MAPTALDH1A1TDP1KDM4EL3MBTL1
SCHEMBL10415933 0.67 GSK3B (0.50) MAPTALDH1A1TDP1KDM4EL3MBTL1

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-2013078413-A1 MODULATORS OF LIPID STORAGE THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-05-30 WO disclosed