SCHEMBL11237640

SCHEMBL11237640

C=CCNC1NC(=O)NC(=O)C1(F)C(=O)OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 2/20 0.34
POLB P06746 4/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HSD17B10 Q99714 3/20 0.32
MAPK1 P28482 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CASP1 P29466 1/20 0.32
TSHR P16473 2/20 0.31
LMNA P02545 1/20 0.31
ADORA2B P29275 2/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31

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
SCHEMBL11243162 0.81 SMN1; SMN2 (0.36) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11240871 0.78 TP53 (0.41) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL11236475 0.77 MEN1 (0.39) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11248698 0.76 ALDH1A1 (0.35) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11245331 0.75 SMN1; SMN2 (0.41) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11233822 0.74 ALDH1A1 (0.42) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11236134 0.72 ALDH1A1 (0.43) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11250408 0.72 ALDH1A1 (0.40) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL11235181 0.70 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HTTTDP1
SCHEMBL10918279 0.70 ALDH1A1 (0.38) MEN1KMT2AALDH1A1HTTTDP1

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-4329460-A ANTICANCER AGENTS, ANTIVIRAL AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1982-05-11 US disclosed