SCHEMBL5730893

SCHEMBL5730893

Cc1cc(-c2ccccc2)nc2sc3c(OCC4CC4)nc(Cl)nc3c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.39
▸ HPGD P15428 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 3/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ALDH1A1 P00352 4/20 0.35
▸ L3MBTL1 Q9Y468 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ CHRM4 P08173 2/20 0.35
▸ TRIM58 Q8NG06 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PRKCI P41743 2/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ ABCB1 P08183 1/20 0.33
▸ ABCG2 Q9UNQ0 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
SCHEMBL5730265 0.87 MAPT (0.48) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5730449 0.85 MEN1 (0.43) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5730914 0.83 MEN1 (0.39) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5730959 0.83 HPGD (0.40) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5730887 0.82 HTR2C (0.42) HRH3KMT2APOLBALDH1A1KDM4E
SCHEMBL5730731 0.81 MEN1 (0.42) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5731595 0.77 MAPT (0.41) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5731794 0.77 MAPT (0.47) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL1321427 0.72 MAPT (0.44) HPGDMEN1KMT2AMAPTPOLB
SCHEMBL5730721 0.71 PRKCI (0.56) MEN1KMT2AMAPTKDM4ECHRM4

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-1619196-A1 Substituted Pyrido[3',2':4,5]thieno[3,2-d]pyrimidines and Pyrido[3',2':4,5]furo[3,2-d]-pyrimidines for use as inhibitors of PDA-4 and/or TNF-alpha release Curacyte Discovery GmbH (DE) 2006-01-25 — — EP disclosed
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