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SCHEMBL17850870

SCHEMBL17850870

CC1(C)c2ccccc2N(c2ccc(-c3c(C#N)c(C=N)c(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)c(-c4ccc(N5c6ccccc6C(C)(C)c6ccccc65)cc4)c3-c3ccc(N4c5ccccc5C(C)(C)c5ccccc54)cc3)cc2)c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.34
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ KEAP1 Q14145 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ AR P10275 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
SCHEMBL17850986 0.98 GRIA4 (0.33) PGRMEN1KMT2ACRHBPHTT
SCHEMBL17483390 0.88 PGR (0.39) PGRMEN1KMT2ACRHBPHTT
SCHEMBL17883172 0.86 PGR (0.40) PGRMEN1KMT2ACRHBPHTT
SCHEMBL17483346 0.85 GRIA4 (0.38) PGRMEN1KMT2ACRHBPHTT
SCHEMBL17483344 0.85 GRIA4 (0.38) PGRMEN1KMT2ACRHBPHTT
SCHEMBL17850914 0.85 LMNA (0.32) PGRMEN1KMT2AHTTMAPT
SCHEMBL17850991 0.81 ALDH1A1 (0.35) MAPTAR
SCHEMBL24432777 0.78 PDE9A (0.37) PGRMEN1KMT2A
SCHEMBL17851027 0.77 PGR (0.34) PGRMEN1KMT2AHTTMAPT
SCHEMBL17483442 0.77 PGR (0.42) PGRMEN1KMT2ACRHBPHTT

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-3035401-A1 ORGANIC ELECTROLUMINESCENT ELEMENT Kyushu University, National University Corporation (JP) 2016-06-22 — — EP disclosed