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Sugi Predict / Compounds / SCHEMBL4250023

SCHEMBL4250023

SCHEMBL4250023

N=C1OCCN1c1cccc(CN2Cc3c(ccnc3N(CS(=O)(=O)O)C(=O)c3ccc(Cl)s3)C2=O)c1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 2/20 0.42
▸ DHPS P49366 1/20 0.31
▸ IDH1 O75874 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ ROCK2 O75116 1/20 0.30
▸ ROCK1 Q13464 1/20 0.30

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
SCHEMBL3380174 0.90 F10 (0.43) F10DHPSOPRM1
SCHEMBL4247278 0.89 F10 (0.35) F10OPRM1
SCHEMBL4243981 0.88 F10 (0.38) F10OPRM1
SCHEMBL4245786 0.87 F10 (0.41) F10DHPSOPRM1
SCHEMBL4244644 0.86 F10 (0.35) F10OPRM1
SCHEMBL4245572 0.85 F10 (0.35) F10OPRM1
SCHEMBL4251882 0.85 F10 (0.35) F10OPRM1
SCHEMBL3380134 0.83 PREP (0.35) F10OPRM1
SCHEMBL1244974 0.83 F10 (0.48) F10IDH1ROCK2ROCK1
SCHEMBL8225168 0.82 F10 (0.51) F10DHPSIDH1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2029589-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF Bayer HealthCare AG (DE) 2009-03-04 — — EP disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 — — WO disclosed