SCHEMBL7979237

SCHEMBL7979237

COC(=O)c1c(C)nc2c(c1-c1ccc(Cl)cc1)C(=O)NC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.53
ALDH1A1 P00352 3/20 0.45
ABCG2 Q9UNQ0 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PLA2G2A P14555 1/20 0.43
CYP1A2 P05177 3/20 0.42
CYP2C9 P11712 3/20 0.42
CYP2C19 P33261 2/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CACNB4 O00305 2/20 0.42
CACNA1A O00555 2/20 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
SCHEMBL7980786 0.88 LMNA (0.50) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL7977566 0.82 HTT (0.42) LMNAALDH1A1ABCG2SMN1; SMN2MAPT
SCHEMBL8801160 0.82 LMNA (0.39) LMNAALDH1A1SMN1; SMN2MAPTNPC1
SCHEMBL30209788 0.79 KDM4E (0.61) LMNAALDH1A1ABCG2SMN1; SMN2MAPT
SCHEMBL7983845 0.79 LMNA (0.50) LMNAALDH1A1ABCG2SMN1; SMN2MAPT
SCHEMBL7979351 0.77 LMNA (0.80) LMNAALDH1A1ABCG2SMN1; SMN2MAPT
SCHEMBL8802801 0.75 LMNA (0.38) LMNAALDH1A1MAPTL3MBTL1KMT2A
SCHEMBL7978016 0.71 PLA2G2A (0.47) LMNAALDH1A1ABCG2SMN1; SMN2MAPT
SCHEMBL23574375 0.71 KDM4E (0.60) LMNAALDH1A1ABCG2SMN1; SMN2MAPT
SCHEMBL7981180 0.71 CACNB4 (0.38) LMNAALDH1A1MAPTNPC1CYP1A2

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