SCHEMBL9757903

SCHEMBL9757903

C=CCc1cc(C2(c3cc(CC=C)c(N)c(C(C)C)c3)c3ccccc3-c3ccccc32)cc(C(C)C)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
OPRK1 P41145 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ESR1 P03372 1/20 0.33
ESR2 Q92731 1/20 0.33
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
PDK2 Q15119 1/20 0.31
ADRB2 P07550 3/20 0.30
ADRB1 P08588 3/20 0.30
HTR1A P08908 1/20 0.30
ADRB3 P13945 1/20 0.30
ADRA2C P18825 1/20 0.30
SLC6A2 P23975 1/20 0.30
BDKRB2 P30411 1/20 0.30
SLC6A4 P31645 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
SCHEMBL9757645 0.84 LMNA (0.41) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL2050108 0.82 LMNA (0.50) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL29580634 0.82 LMNA (0.50) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL9324920 0.77 ESR1 (0.49) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL15815775 0.76 GABRA1 (0.49) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL7723158 0.75 GABRA1 (0.43) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL5968924 0.74 MEN1 (0.45) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL6949064 0.73 ESR1 (0.51) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL29632697 0.73 KDM4E (0.46) LMNAKDM4EMEN1MAPTOPRK1
SCHEMBL20226272 0.72 MAPT (0.36) LMNAKDM4EMEN1MAPTOPRK1

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-5055616-A 9,9-bis(3-alkyl-4-amino-5-isopropylphenyl) fluorene; for use in gas separation membranes AIR PRODUCTS AND CHEMICALS, INC. (US) 1991-10-08 US disclosed