SCHEMBL7334714

SCHEMBL7334714

COc1ccc(-c2csc(Nc3nc4c(c(-c5ccccc5)n3)CNCC4)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.53
▸ RAB9A P51151 9/20 0.53
▸ MEN1 O00255 9/20 0.53
▸ NPC1 O15118 8/20 0.53
▸ MAPT P10636 7/20 0.53
▸ SMN1; SMN2 Q16637 5/20 0.53
▸ NFKB1 P19838 5/20 0.53
▸ NFKB2 Q00653 5/20 0.53
▸ RELA Q04206 5/20 0.53
▸ GAA P10253 5/20 0.53
▸ ALOX5 P09917 3/20 0.53
▸ ALDH1A1 P00352 3/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ PTGS2 P35354 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ HTT P42858 1/20 0.48
▸ TUBB4A P04350 1/20 0.46
▸ TUBB P07437 1/20 0.46
▸ TUBA3C P0DPH7 1/20 0.46

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
SCHEMBL7328447 0.91 MEN1 (0.50) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL7333786 0.90 MEN1 (0.50) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL7331115 0.88 ALOX5 (0.51) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL7329378 0.88 HTR2A (0.59) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL12297264 0.72 MEN1 (0.95) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL1822120 0.71 MEN1 (1.00) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL29276782 0.71 MEN1 (1.00) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL7328556 0.70 MEN1 (0.47) KMT2ARAB9AMEN1NPC1MAPT
SCHEMBL183115 0.69 HTR2A (0.62) NFKB1RECQLLMNACYP1A2
SCHEMBL9380985 0.68 MEN1 (0.80) KMT2ARAB9AMEN1NPC1MAPT

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
US-5405848-A Substituted thiazolylaminotetrahydropyridopyrimidines derivatives useful as platelet aggregation inhibitors ORTHO PHARMACEUTICAL CORPORATION (US) 1995-04-11 — — US claimed
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