SCHEMBL5808459

SCHEMBL5808459

Cc1nc(-c2ccncc2)nc2sc(OC(N)=O)c(N)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ PRKCI P41743 10/20 0.43
▸ CHRM4 P08173 3/20 0.40
▸ CDC7 O00311 3/20 0.38
▸ DBF4 Q9UBU7 3/20 0.38
▸ CCNE1 P24864 1/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ NLRP1 Q9C000 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ TUBB4A P04350 1/20 0.35
▸ TUBB P07437 1/20 0.35
▸ TUBA3C P0DPH7 1/20 0.35
▸ TUBA1B P68363 1/20 0.35
▸ TUBA4A P68366 1/20 0.35

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
SCHEMBL5808461 0.89 MAPT (0.57) MEN1KMT2AMAPTCHRM4KDM4E
SCHEMBL5806520 0.87 MAPT (0.45) MEN1KMT2AMAPTCHRM4KDM4E
SCHEMBL5808457 0.85 MAPT (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5816926 0.85 MAPT (0.43) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5809433 0.84 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1
SCHEMBL2856060 0.83 MAPT (0.42) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL5806526 0.82 MAPT (0.44) MEN1KMT2AMAPTTP53
SCHEMBL5820468 0.82 MAPT (0.45) MEN1KMT2AMAPTCHRM4KDM4E
SCHEMBL5806498 0.80 MAPT (0.43) MEN1KMT2AMAPTCHRM4KDM4E
SCHEMBL5809220 0.79 KMT2A (0.44) MEN1KMT2AMAPTCHRM4KDM4E

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-2006100095-A1 SUBSTITUTED CARBOXAMIDES METHOD FOR PRODUCTION AND USE THEREOF AS TNF-ALPHA RELEASE INHIBITORS CURACYTE DISCOVERY GMBH (DE) 2006-09-28 — — WO disclosed
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