SCHEMBL5805451

SCHEMBL5805451

C=CCn1c(SC[C]=O)nc2sc(C)c(C)c2c1=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.77
▸ LMNA P02545 4/20 0.77
▸ MAPT P10636 5/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ NPSR1 Q6W5P4 3/20 0.63
▸ KDM4E B2RXH2 3/20 0.61
▸ GFER P55789 1/20 0.61
▸ POLB P06746 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TSHR P16473 3/20 0.57
▸ HSD17B10 Q99714 2/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.55
▸ USP2 O75604 1/20 0.54
▸ MAPK10 P53779 1/20 0.54
▸ CREBBP Q92793 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ HPGD P15428 1/20 0.53
▸ ATM Q13315 1/20 0.53
▸ HTT P42858 1/20 0.51

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
SCHEMBL1101900 0.84 LMNA (0.77) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5805038 0.78 POLB (0.64) ALDH1A1LMNAMAPTKMT2ANPSR1
SCHEMBL5804877 0.78 NPSR1 (0.65) ALDH1A1LMNAMAPTKMT2ANPSR1
SCHEMBL19090711 0.75 LMNA (0.75) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19079791 0.75 LMNA (0.70) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL19079790 0.75 LMNA (0.74) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5807546 0.72 NPSR1 (0.70) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL5804328 0.70 ALDH1A1 (0.59) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL14478929 0.69 MAPK1 (0.62) ALDH1A1LMNAMAPTMEN1KMT2A
SCHEMBL3911841 0.68 TP53 (0.68) ALDH1A1LMNAMAPTKMT2ANPSR1

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
WO-2006093518-A2 THIENYL COMPOUNDS FOR TREATING VIRUS-RELATED CONDITIONS APATH, LLC (US) 2006-09-08 — — WO disclosed
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