SCHEMBL9757645

SCHEMBL9757645

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
OPRK1 P41145 1/20 0.41
KMT2A Q03164 1/20 0.41
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CYP2D6 P10635 2/20 0.34
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
ALOX15 P16050 1/20 0.32
CYP2C19 P33261 1/20 0.32
PAX8 Q06710 1/20 0.32
HIF1A Q16665 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PDK2 Q15119 3/20 0.31

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
SCHEMBL2050108 0.87 LMNA (0.50) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL29632505 0.87 SMN1; SMN2 (0.50) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL5679728 0.87 SMN1; SMN2 (0.50) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL29580634 0.87 LMNA (0.50) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL9757903 0.84 LMNA (0.38) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL29686197 0.81 ESR1 (0.49) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL5968571 0.81 ESR1 (0.49) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL9324920 0.81 ESR1 (0.49) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL5968629 0.78 KDM4E (0.45) LMNAMAPTSMN1; SMN2KDM4EMEN1
SCHEMBL2443990 0.77 KDM4E (0.40) LMNAMAPTSMN1; SMN2KDM4EMEN1

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
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 claimed
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