SCHEMBL28092175

SCHEMBL28092175

Cc1[nH]c2ccc(CCCCl)cc2c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.44
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
HPGD P15428 2/20 0.44
THRB P10828 1/20 0.44
HCRTR1 O43613 1/20 0.42
LMNA P02545 3/20 0.42
POLB P06746 1/20 0.42
AHR P35869 1/20 0.42
HTT P42858 1/20 0.39
TBXAS1 P24557 1/20 0.38
CHRNA7 P36544 1/20 0.38
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL11970184 0.81 HCRTR1 (0.49) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL5023941 0.78 MAPT (0.57) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL29586276 0.76 MAPT (0.51) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL1913689 0.76 MAPT (0.51) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL11955040 0.73 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL12352516 0.73 MAPT (0.47) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL5018918 0.73 ALDH1A1 (0.46) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL18906764 0.73 MAPT (0.52) MAPTALDH1A1KDM4EHPGDTHRB
SCHEMBL6273166 0.73 MAPT (0.46) MAPTALDH1A1KDM4EHPGDHTT
SCHEMBL17448256 0.72 AHR (0.52) MAPTALDH1A1KDM4EHPGDTHRB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661005-A Functionalized and substituted indoles as anticancer agents 诺沃根公司 2017-05-10 CN disclosed
CN-105916841-A Functionalised and substituted indoles as anti-cancer agents 诺沃根公司 2016-08-31 CN disclosed