SCHEMBL19370874

SCHEMBL19370874

CNC(=O)C(CCC=O)N1Cc2ccccc2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.39
▸ NAMPT P43490 12/20 0.37
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ CARM1 Q86X55 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ TAS1R3 Q7RTX0 1/20 0.35
▸ TAS1R1 Q7RTX1 1/20 0.35
▸ TAS1R2 Q8TE23 1/20 0.35
▸ ADAM17 P78536 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
SCHEMBL19370702 0.80 ESR2 (0.41) —
SCHEMBL24266854 0.79 MAPT (0.40) MEN1KMT2A
SCHEMBL19370652 0.79 HSD17B3 (0.37) NAMPTMEN1KMT2ACARM1
SCHEMBL19370816 0.77 KCNH2 (0.43) CARM1KCNH2HRH3
SCHEMBL26003508 0.77 AKR1C3 (0.35) NOTUMNAMPTMEN1KMT2AKCNH2
SCHEMBL19370821 0.77 ESR1 (0.44) NOTUMNAMPT
SCHEMBL19370918 0.76 SCN9A (0.39) NOTUMNAMPTKCNH2
SCHEMBL22698792 0.75 ALDH1A1 (0.47) MEN1KMT2A
SCHEMBL22461261 0.72 ALDH1A1 (0.39) MEN1KMT2A
SCHEMBL23129062 0.70 MAPT (0.40) MEN1KMT2A

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
WO-2017161119-A1 SMALL MOLECULES AGAINST CEREBLON TO ENHANCE EFFECTOR T CELL FUNCTION H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE, INC. (US) 2017-09-21 — — WO disclosed
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