SCHEMBL10890866

SCHEMBL10890866

C=CCN1C(=O)CS/C1=N/N=C1/SC(COP(=O)(OCC2S/C(=N/N=C3/SCC(=O)N3CC=C)N(C)C2=O)OCC2S/C(=N/N=C3/SCC(=O)N3CC=C)N(C)C2=O)C(=O)N1C

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ POLB P06746 1/20 0.32
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ATM Q13315 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL10890872 0.92 LMNA (0.40) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL11200754 0.92 ALDH1A1 (0.39) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL10899040 0.83 ALDH1A1 (0.41) LMNAALDH1A1MAPTRECQLPOLB
SCHEMBL10881231 0.80 LMNA (0.39) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL9493016 0.79 LMNA (0.50) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL9493012 0.79 LMNA (0.50) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL9493024 0.77 LMNA (0.40) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL9494278 0.75 LMNA (0.52) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL9494274 0.75 LMNA (0.52) LMNAALDH1A1MAPTMAPK1RECQL
SCHEMBL10899048 0.75 ALDH1A1 (0.40) LMNAALDH1A1MAPTRECQLPOLB

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-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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