SCHEMBL9720539

SCHEMBL9720539

CCOC(=O)/C(=C\N(C)C)C(=O)c1cc(F)c(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
NPSR1 Q6W5P4 4/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 2/20 0.39
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C19 P33261 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR1 P21453 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP11B1 P15538 6/20 0.38
CYP11B2 P19099 5/20 0.38
PTP4A1 Q93096 1/20 0.34
USP2 O75604 1/20 0.33
IDE P14735 1/20 0.33
TNNI3 P19429 1/20 0.33
TNNT2 P45379 1/20 0.33
TNNC1 P63316 1/20 0.33
GLO1 Q04760 1/20 0.33

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
SCHEMBL9720544 1.00 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL13225679 0.95 MEN1 (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10754614 0.91 KMT2A (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL10754609 0.91 KMT2A (0.40) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL17193050 0.89 KMT2A (0.42) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL6339979 0.89 KMT2A (0.42) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL6339982 0.89 KMT2A (0.42) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL13008086 0.86 CYP11B1 (0.37) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL4409249 0.85 LMNA (0.39) MEN1KMT2ANPSR1MAPTLMNA
SCHEMBL4409246 0.85 LMNA (0.39) MEN1KMT2ANPSR1MAPTLMNA

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-5169853-A Antibacterial agents; administering to mammals for infection STERLING DRUG INC. (US) 1992-12-08 US disclosed
US-5075319-A Bactericides STERLING DRUG INC. (US) 1991-12-24 US disclosed