SCHEMBL17636725

SCHEMBL17636725

CC1(c2ccc(-c3ccc(C4(c5c[nH]c6ccccc56)c5ccccc5-c5ccccc54)cc3)cc2)c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGAM O43451 4/20 0.44
GAA P10253 4/20 0.44
SI P14410 4/20 0.44
MGAM2 Q2M2H8 4/20 0.44
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
HTR6 P50406 1/20 0.39
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
OPRK1 P41145 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NR4A2 P43354 1/20 0.36
NTRK1 P04629 2/20 0.35
PRKD3 O94806 2/20 0.35
ABL1 P00519 2/20 0.35
DAPK3 O43293 1/20 0.35

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
SCHEMBL31347809 0.80 MGAM (0.58) MGAMGAASIMGAM2HTR1A
SCHEMBL21307359 0.80 MGAM (0.58) MGAMGAASIMGAM2HTR1A
SCHEMBL18135119 0.74
SCHEMBL25858298 0.68 MEN1 (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL16081814 0.67 PDK2 (0.39) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL5038341 0.67 KDM4E (0.44) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL16451449 0.66 AHR (0.47) KDM4EMEN1MAPTKMT2ASMN1; SMN2
SCHEMBL25856756 0.66 KDM4E (0.33) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL25671827 0.66 KDM4E (0.40) KDM4EMEN1LMNAMAPTOPRK1
SCHEMBL5351775 0.66 MEN1 (0.63) KDM4EMEN1LMNAMAPTOPRK1

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-20160090449-A1 POLYMER, ORGANIC LAYER COMPOSITION, ORGANIC LAYER, AND METHOD OF FORMING PATTERNS SAMSUNG SDI CO., LTD. (KR) 2016-03-31 US disclosed