SCHEMBL10993577

SCHEMBL10993577

CC(O)N1CCN(c2ncc3c(=O)c(C(=O)O)cn(C4CC4)c3n2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.53
▸ CASP1 P29466 1/20 0.53
▸ KDM4E B2RXH2 6/20 0.44
▸ MAPK1 P28482 3/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ ENPP2 Q13822 9/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CSF1R P07333 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
SCHEMBL10991392 0.88 CASP1 (0.56) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10993809 0.86 LMNA (0.65) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10995245 0.85 LMNA (0.64) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10990274 0.84 LMNA (0.52) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10988291 0.83 CASP1 (0.53) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10992417 0.83 CASP1 (0.53) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL11585071 0.83 LMNA (0.77) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL10993580 0.82 LMNA (0.53) LMNACASP1KDM4EMAPK1CYP2C9
SCHEMBL14421860 0.79 TOP2A (0.43) LMNACASP1KDM4ECSF1R
SCHEMBL12665404 0.78 LMNA (0.57) LMNACASP1KDM4EMAPK1CYP2C9

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-4556709-A BACTERICIDES, FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 1985-12-03 — — US claimed
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