SCHEMBL7979351

SCHEMBL7979351

COC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)C(=O)CC(C)(C)C2

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.80
ALDH1A1 P00352 4/20 0.66
CYP1A2 P05177 3/20 0.66
CYP2C9 P11712 3/20 0.66
CYP2C19 P33261 2/20 0.66
MEN1 O00255 1/20 0.66
CYP3A4 P08684 1/20 0.66
KMT2A Q03164 1/20 0.66
NPSR1 Q6W5P4 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MAPT P10636 2/20 0.43
ALPL P05186 1/20 0.42
OPRM1 P35372 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL7981878 0.83 LMNA (0.57) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30209788 0.78 KDM4E (0.61) LMNAALDH1A1MEN1KMT2ANPSR1
SCHEMBL7983845 0.77 LMNA (0.50) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7979237 0.77 LMNA (0.53) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6996546 0.74 CYP1A2 (0.72) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL6484099 0.73 CYP1A2 (0.48) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL15537332 0.72 LMNA (0.55) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7977490 0.72 LMNA (0.55) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7980956 0.70 CYP1A2 (0.56) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL5802956 0.70 CYP1A2 (0.73) LMNAALDH1A1CYP1A2CYP2C9CYP2C19

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-6194428-B1 BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2001-02-27 US claimed