SCHEMBL11248698

SCHEMBL11248698

C=CCSC1NC(=O)NC(=O)C1(F)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL11241152 0.86 ALDH1A1 (0.38) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11246583 0.80 HSD17B10 (0.36) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11243202 0.80 HSD17B10 (0.36) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11240689 0.79 ALDH1A1 (0.37) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11236106 0.78 LMNA (0.41) ALDH1A1HTTMEN1KMT2APOLB
SCHEMBL11249308 0.77 POLB (0.41) ALDH1A1MEN1KMT2APOLBSMN1; SMN2
SCHEMBL11236475 0.77 MEN1 (0.39) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11237640 0.76 MEN1 (0.36) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11237613 0.75 POLB (0.35) ALDH1A1HTTTDP1MEN1KMT2A
SCHEMBL11233822 0.74 ALDH1A1 (0.42) ALDH1A1HTTTDP1MEN1KMT2A

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