SCHEMBL11274276

SCHEMBL11274276

Cc1nnc(SCC2=C(C(=O)OCOC(=O)C(C)(C)C)N3C(=O)C(NC(=O)/C(=N/OCCCN)c4nsc(N)n4)[C@H]3SC2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 2/20 0.49
▸ FAP Q12884 2/20 0.46
▸ MAPT P10636 6/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ USP2 O75604 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ POLB P06746 6/20 0.43
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ TDP1 Q9NUW8 6/20 0.43
▸ GAA P10253 1/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HTT P42858 2/20 0.41
▸ LMNA P02545 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41

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
Hydrochloric Acid SCHEMBL10852790 1.00 PTGS1 (0.49) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL11274281 1.00 PTGS1 (0.49) PTGS1FAPMAPTALDH1A1USP2
Hydrochloric Acid SCHEMBL10852770 1.00 PTGS1 (0.49) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10850474 0.92 PTGS1 (0.46) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10850469 0.92 PTGS1 (0.46) PTGS1FAPMAPTALDH1A1USP2
Hydrochloric Acid SCHEMBL10850971 0.91 PTGS1 (0.49) PTGS1FAPMAPTALDH1A1USP2
Hydrochloric Acid SCHEMBL10850961 0.91 PTGS1 (0.49) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10852437 0.91 PTGS1 (0.52) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10852440 0.91 PTGS1 (0.52) PTGS1FAPMAPTALDH1A1USP2
SCHEMBL10854569 0.89 POLB (0.54) PTGS1MAPTALDH1A1KCNH2POLB

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-4332798-A ANTIBIOTICS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1982-06-01 — — US disclosed
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