SCHEMBL7005881

SCHEMBL7005881

COC(=O)c1cccc2nc(CSCCO)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 2/20 0.38
▸ WDR77 Q9BQA1 2/20 0.38
▸ KDM4E B2RXH2 5/20 0.38
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ KDM5A P29375 1/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ LMNA P02545 6/20 0.37
▸ SMN1; SMN2 Q16637 5/20 0.37
▸ HTT P42858 3/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ GLA P06280 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.36

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
SCHEMBL6843624 0.81 RIPK1 (0.51) PRMT5WDR77KDM4EGAAKMT2A
SCHEMBL7721019 0.81 DDAH1 (0.44) PRMT5WDR77KDM4EGAAKMT2A
SCHEMBL7002080 0.80 KDM4E (0.48) PRMT5WDR77KDM4EGAAKMT2A
SCHEMBL1917771 0.79 RIPK1 (0.44) PRMT5WDR77KDM4EGAAKMT2A
SCHEMBL937977 0.79 PKM (0.48) PRMT5WDR77KDM4EGAAKMT2A
SCHEMBL1552358 0.77 RNASEH1 (0.54) KDM4EGAAKMT2ACYP1A2CYP3A4
SCHEMBL9197306 0.77 RIPK1 (0.48) KDM4EGAAKMT2AATMCYP1A2
SCHEMBL20594099 0.77 MAPT (0.46) PRMT5WDR77KDM4EGAAKMT2A
SCHEMBL29894060 0.77 CHRM1 (0.53) KDM4EGAAKMT2AATMCYP1A2
SCHEMBL29261995 0.77 CHRM1 (0.53) KDM4EGAAKMT2AATMCYP1A2

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-2003106430-A1 BENZIMIDAZOLE INHIBITORS OF POLY(ADP-RIBOSYL) POLYMERASE PFIZER INC. (US) 2003-12-24 — — WO disclosed
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