SCHEMBL18638161

SCHEMBL18638161

COC1(c2cc(C(=O)NCCCOc3ccc4nc(C#N)sc4c3)ccc2C=O)c2ccc(N(C)C)cc2Oc2cc(N(C)C)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ MMP2 P08253 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ ROCK1 Q13464 1/20 0.34
▸ SCD O00767 2/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ CACNA1H O95180 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ APP P05067 1/20 0.33
▸ CACNA1B Q00975 2/20 0.33
▸ ALDH1A1 P00352 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
SCHEMBL13637310 0.88 MCHR1 (0.35) LMNAMMP2MMP8MMP13SCD
SCHEMBL13662226 0.86 KCNH2 (0.43) LMNAMMP2MMP8MMP13SCD
SCHEMBL18116829 0.84 KCNH2 (0.44) LMNASCDKCNH2MAPTALDH1A1
SCHEMBL13662234 0.80 KCNH2 (0.43) LMNAMMP2MMP8MMP13SCD
SCHEMBL13637216 0.78 KCNH2 (0.35) MMP2MMP8MMP13KCNH2SMN1; SMN2
SCHEMBL13663814 0.77 NT5E (0.41) KCNH2MAPTHPGD
SCHEMBL18638158 0.75 KCNH2 (0.41) LMNAMMP2MMP8MMP13SCD
SCHEMBL13637125 0.74 MCHR1 (0.34) KCNH2POLB
SCHEMBL13662230 0.73 KCNH2 (0.41) LMNANPC1RAB9AKCNH2MAPT
SCHEMBL13662231 0.72 KCNH2 (0.40) KCNH2

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
EP-3141905-A1 PROTEIN LABELING WITH CYANOBENZOTHIAZOLE CONJUGATES Promega Corporation (US) 2017-03-15 — — EP disclosed
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