SCHEMBL20157006

SCHEMBL20157006

C=C(C)c1cc(CN(CCC)CCC)c(C)cc1C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.33
HRH3 Q9Y5N1 1/20 0.33
ALDH1A1 P00352 5/20 0.32
ALOX15 P16050 1/20 0.32
POLB P06746 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
THRB P10828 1/20 0.31
APEX1 P27695 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
RECQL P46063 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
KMT2A Q03164 1/20 0.31
MCL1 Q07820 1/20 0.31
HKDC1 Q2TB90 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP1A2 P05177 1/20 0.30

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
SCHEMBL20157104 0.79 HRH3 (0.47) MAPTHRH3ALDH1A1KDM4EHTT
SCHEMBL20157077 0.70 TP53 (0.37) ALDH1A1KDM4EMEN1HTTKMT2A
SCHEMBL19018769 0.70 HTR1A (0.33) MAPTHRH3ALDH1A1POLBGPR55
SCHEMBL21094230 0.69 KCNH2 (0.36) MAPTALDH1A1THRBNPSR1
SCHEMBL20157180 0.69 TAAR1 (0.44) MAPTALOX15KDM4EMEN1THRB
SCHEMBL20149895 0.68 TAS1R3 (0.34)
SCHEMBL18432743 0.67 KDM4E (0.35) ALDH1A1POLBKDM4EKMT2AL3MBTL1
SCHEMBL18432740 0.66 NPSR1 (0.36) ALDH1A1MCL1NPSR1
SCHEMBL19113576 0.66
SCHEMBL611373 0.66 HRH3 (0.60) MAPTHRH3CYP1A2CYP2D6CYP2C9

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed