SCHEMBL9561731

SCHEMBL9561731

CCOC(=O)/C(=C/N(C)C)C(=O)c1cc(F)c(F)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
NPSR1 Q6W5P4 4/20 0.40
MAPT P10636 3/20 0.40
CYP2C9 P11712 2/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP11B1 P15538 3/20 0.36
CYP11B2 P19099 3/20 0.36
GLO1 Q04760 1/20 0.35
S1PR4 O95977 1/20 0.35
S1PR1 P21453 1/20 0.35
MAPK1 P28482 1/20 0.35
USP2 O75604 1/20 0.34
IDE P14735 1/20 0.34
TNNI3 P19429 1/20 0.34
TNNT2 P45379 1/20 0.34
TNNC1 P63316 1/20 0.34
HTT P42858 1/20 0.34

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
SCHEMBL30843044 1.00 MEN1 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL4567521 1.00 MEN1 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL3695378 1.00 MEN1 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL7519192 0.91 MEN1 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL7519196 0.91 MEN1 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL9212344 0.88 CYP2C9 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL9562415 0.88 CYP2C9 (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL9562231 0.88 KMT2A (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL9213709 0.88 KMT2A (0.40) MEN1KMT2ANPSR1MAPTCYP2C9
SCHEMBL4887115 0.88 CES2 (0.49) MEN1KMT2ANPSR1MAPTCYP2C9

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-5182401-A Bactericide intermediate BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed