SCHEMBL13637310

SCHEMBL13637310

CN(C)c1ccc2c(c1)Oc1cc(N(C)C)ccc1C2(OC=O)c1cccc(C(=O)NCCCOc2ccc3nc(C#N)sc3c2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 2/20 0.35
▸ MAOB P27338 1/20 0.35
▸ KMT2A Q03164 3/20 0.34
▸ CACNA1H O95180 1/20 0.34
▸ SCD O00767 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ TP53 P04637 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ HPGD P15428 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ALOX12 P18054 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL18638161 0.88 LMNA (0.36) CACNA1HSCDPOLBMAPTTP53
SCHEMBL13637125 0.86 MCHR1 (0.34) MCHR1KMT2APOLBKCNH2NAMPT
SCHEMBL13662226 0.84 KCNH2 (0.43) KMT2ACACNA1HSCDPOLBMAPT
SCHEMBL18116829 0.81 KCNH2 (0.44) KMT2ASCDPOLBMAPTMEN1
SCHEMBL13662234 0.77 KCNH2 (0.43) KMT2ASCDPOLBMAPTTP53
SCHEMBL13637216 0.75 KCNH2 (0.35) POLBMAPTTP53SMN1; SMN2KCNH2
SCHEMBL13663814 0.74 NT5E (0.41) KMT2AMAPTHPGDMEN1KCNH2
SCHEMBL18638158 0.73 KCNH2 (0.41) KMT2ASCDPOLBMAPTTP53
SCHEMBL13662230 0.71 KCNH2 (0.41) KMT2AMAPTMEN1ALDH1A1LMNA
SCHEMBL13637124 0.70 L3MBTL1 (0.47) KMT2ACACNA1HMAPTKDM4EHPGD

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-2009142678-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES PROMEGA CORPORATIN (US) 2009-11-26 — — WO disclosed
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