SCHEMBL11697201

SCHEMBL11697201

COc1ccc2c(c1)C(C)C(C)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSPA1A P0DMV8 1/20 0.42
PTPN7 P35236 1/20 0.42
SNCA P37840 1/20 0.42
HTR2C P28335 2/20 0.41
HTR2A P28223 1/20 0.41
HTR2B P41595 1/20 0.41
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
ALDH1A1 P00352 3/20 0.39
PTPN1 P18031 1/20 0.38
MAPT P10636 4/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TSHR P16473 1/20 0.37
GFER P55789 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KCNQ2 O43526 1/20 0.37
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 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
SCHEMBL12949372 0.78 HSPA1A (0.40) HSPA1APTPN7SNCAHTR2CHTR2A
SCHEMBL13174799 0.75 HTR2C (0.40) HSPA1APTPN7HTR2CALDH1A1MAPT
SCHEMBL22019330 0.75 HTR2C (0.40) HSPA1APTPN7HTR2CALDH1A1MAPT
SCHEMBL6348036 0.74 HSPA1A (0.45) HSPA1APTPN7ALDH1A1MAPTKDM4E
SCHEMBL7038904 0.73 CHRNB2 (0.35) ALDH1A1CA12CA1CA2CA9
SCHEMBL21317798 0.73 HTR2A (0.39) HSPA1APTPN7HTR2CHTR2AHTR2B
SCHEMBL15108164 0.73 HTR2C (0.41) HTR2CHTR2AMAPTKDM4EMEN1
SCHEMBL13841841 0.73 TUBB4A (0.40) ALDH1A1MEN1KMT2AGAAHTT
SCHEMBL16061933 0.72 KCNQ2 (0.53) HSPA1APTPN7ALDH1A1MAPTKDM4E
SCHEMBL14325272 0.72 FBP1 (0.42) HSPA1APTPN7SNCAHTR2CHTR2A

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
US-4017484-A Cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-04-12 US disclosed