SCHEMBL18770871

SCHEMBL18770871

CCCCCCCCCCCCCCc1ccnc(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.40
LIPG Q9Y5X9 1/20 0.39
KCNH2 Q12809 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALOX5 P09917 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL28052769 1.00 TYR (0.40) TYRLIPGKCNH2TDP1TP53
SCHEMBL22791948 0.84 LIPG (0.40) TYRLIPGKCNH2TDP1TP53
SCHEMBL6999496 0.82 TYR (0.46) TYRLIPGKCNH2TDP1TP53
SCHEMBL21776131 0.81 TLR7 (0.42) LIPGKCNH2MEN1MAPTKMT2A
SCHEMBL11379212 0.80 TYR (0.41) TYRLIPGKCNH2TDP1TP53
SCHEMBL28876715 0.79 TYR (0.41) TYRLIPGKCNH2TDP1TP53
Hydrochloric Acid SCHEMBL28538588 0.79 TYR (0.44) TYRLIPGKCNH2TDP1TP53
Bromide SCHEMBL27953978 0.79 TYR (0.44) TYRLIPGKCNH2TDP1TP53
SCHEMBL28052894 0.79 TYR (0.44) TYRLIPGKCNH2TDP1TP53
SCHEMBL10456083 0.79 TYR (0.44) TYRLIPGKCNH2TDP1TP53

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-2017069721-A1 ANTIVIRAL PHARMACEUTICAL COMPOSITION TOLCHEYEV YURIY ZAKHAROVYCH (UA) 2017-04-27 WO disclosed