SCHEMBL29625562

SCHEMBL29625562

CC(C)(C)c1ccc2c(c1)c1cc(C(C)(C)C)ccc1n2-c1cccc(N(c2ccccc2)c2cccc3ccccc23)c1Br

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 6/20 0.34
▸ PGR P06401 1/20 0.34
▸ RORA P35398 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ MEN1 O00255 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CYP2D6 P10635 2/20 0.31
▸ NR1I2 O75469 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ KIF11 P52732 1/20 0.31
▸ CYP19A1 P11511 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
SCHEMBL29625557 0.92 PGR (0.32) SIGMAR1PGRRORARORCRORB
SCHEMBL29625632 0.90 CYP19A1 (0.31) SIGMAR1PGRRORARORCRORB
SCHEMBL29625613 0.85 ALDH1A1 (0.37) SIGMAR1MEN1KMT2ACYP2D6
SCHEMBL10819210 0.84 SIGMAR1 (0.33) SIGMAR1PGRRORARORCRORB
SCHEMBL29625595 0.83 PGR (0.30) PGRRORARORCRORB
SCHEMBL29625629 0.83 SIGMAR1 (0.33) SIGMAR1
SCHEMBL4400192 0.82 SIGMAR1 (0.33) SIGMAR1PGRRORARORCRORB
SCHEMBL4403234 0.82 PGR (0.33) SIGMAR1PGRRORARORCRORB
SCHEMBL4400922 0.81 PGR (0.33) SIGMAR1PGRRORARORCRORB
SCHEMBL29625607 0.81 SIGMAR1 (0.33) SIGMAR1

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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