SCHEMBL10887264

SCHEMBL10887264

C=CCN1C(=O)C(OS(=O)(=O)O)SC1=NN=C1SCC(=O)N1C

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.37
▸ RECQL P46063 3/20 0.37
▸ MAPK1 P28482 3/20 0.35
▸ TSHR P16473 1/20 0.35
▸ MEN1 O00255 4/20 0.34
▸ KMT2A Q03164 4/20 0.34
▸ POLB P06746 3/20 0.34
▸ USP2 O75604 1/20 0.34
▸ THRB P10828 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ALDH1A1 P00352 8/20 0.34
▸ MAPT P10636 2/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PKM P14618 1/20 0.33
▸ GAA P10253 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
SCHEMBL10881804 0.90 RECQL (0.39) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10881709 0.82 ALDH1A1 (0.49) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10721434 0.81 LMNA (0.42) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10721429 0.81 LMNA (0.42) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10723230 0.80 ALDH1A1 (0.35) LMNARECQLMAPK1TSHRMEN1
Phosphoric Acid SCHEMBL11089876 0.77 ALDH1A1 (0.41) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10750411 0.77 LMNA (0.36) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10721671 0.76 ALDH1A1 (0.36) LMNARECQLMAPK1TSHRMEN1
SCHEMBL10891577 0.76 LMNA (0.31) LMNAMEN1KMT2AALDH1A1MAPT
SCHEMBL9494278 0.75 LMNA (0.52) LMNARECQLMAPK1TSHRMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4489069-A ANTITUMOR CIBA-GEIGY AG (CH) 1984-12-18 — — US claimed
US-4582841-A ANTITUMOR AND -CARCINOGENIC AGENTS CIBA-GEIGY CORPORATION (US) 1986-04-15 — — US disclosed
US-4489069-A ANTITUMOR CIBA-GEIGY AG (CH) 1984-12-18 — — US disclosed
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