SCHEMBL29625556

SCHEMBL29625556

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cc(-c2cccnc2)cc(-n2c3cc4ccccc4cc3c3c4ccccc4ccc32)c1Br

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 1/20 0.38
▸ CYP11B1 P15538 5/20 0.36
▸ CYP11B2 P19099 4/20 0.36
▸ CYP19A1 P11511 3/20 0.36
▸ CYP17A1 P05093 2/20 0.36
▸ MAPT P10636 5/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ NPC1 O15118 3/20 0.33
▸ RAB9A P51151 3/20 0.33
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRA5 P31644 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31

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
SCHEMBL29625600 0.91 CYP11B1 (0.43) CYP11B1CYP11B2CYP19A1CYP17A1MAPT
SCHEMBL29625591 0.90 KIF11 (0.32) KIF11KMT2AMEN1POLB
SCHEMBL29625612 0.85 KIF11 (0.35) KIF11KMT2AMEN1POLB
SCHEMBL29625573 0.85 KIF11 (0.35) KIF11CYP19A1KMT2AMEN1POLB
SCHEMBL29625566 0.85 KIF11 (0.35) KIF11CYP19A1KMT2AMEN1POLB
SCHEMBL29625572 0.84 PPARG (0.35) KIF11CYP1A1CYP1A2CYP1B1
SCHEMBL29625631 0.83 KIF11 (0.33) KIF11KMT2AMEN1POLB
SCHEMBL29625623 0.83 KIF11 (0.32) KIF11
SCHEMBL29625610 0.81 PGR (0.35) KIF11CYP19A1KMT2AMEN1POLB
SCHEMBL29625603 0.79 HTR6 (0.37) MAPTKDM4EHPGDALDH1A1POLB

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
WO-2022131780-A1 ORGANIC LIGHT-EMITTING COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT USING SAME 솔루스첨단소재 주식회사 2022-06-23 — — WO disclosed
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