SCHEMBL20365409

SCHEMBL20365409

CNc1nccc(O[C@H]2CC[C@H](NC(=O)Nc3cc(C)ccc3OC)CC2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.49
▸ KMT2A Q03164 6/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ MAPT P10636 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ CCNC P24863 2/20 0.42
▸ CDK8 P49336 2/20 0.42
▸ PKM P14618 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ LDHA P00338 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41

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
SCHEMBL20357456 0.86 EPHX2 (0.51) CCNCCDK8
SCHEMBL18615796 0.86 EPHX2 (0.51) CCNCCDK8
SCHEMBL18615481 0.78 EPHX2 (0.43) CCNCCDK8
SCHEMBL20357313 0.78 EPHX2 (0.43) CCNCCDK8
SCHEMBL18615500 0.76 EPHX2 (0.47) CCNCCDK8
SCHEMBL20357255 0.76 EPHX2 (0.47) CCNCCDK8
SCHEMBL18615632 0.76 EPHX2 (0.41) CCNCCDK8
SCHEMBL20357375 0.76 EPHX2 (0.41) CCNCCDK8
SCHEMBL18615742 0.76 EPHX2 (0.52) KMT2AMEN1
SCHEMBL20357260 0.76 EPHX2 (0.52) KMT2AMEN1

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-3345893-B1 UREA DERIVATIVE AND USE THEREFOR TORAY INDUSTRIES (JP) 2019-10-30 — — EP disclosed
EP-3345893-A1 UREA DERIVATIVE AND USE THEREFOR Toray Industries, Inc. (JP) 2018-07-11 — — EP disclosed
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