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SCHEMBL355046

SCHEMBL355046

CC(C)(C)c1ccc(N(c2ccc(C(C)(C)C)cc2)c2cc3c(c4ccccc24)-c2cc4c(cc2C3(C)C)-c2c(ccc3ccccc23)C4(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.33
▸ NR1I2 O75469 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SIGMAR1 Q99720 1/20 0.32
▸ HSD17B2 P37059 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
SCHEMBL355699 0.92 KEAP1 (0.31) GPR84
SCHEMBL15895378 0.91 KEAP1 (0.30) GPR84
SCHEMBL13789947 0.89 — —
SCHEMBL15895290 0.89 KEAP1 (0.32) GPR84CYP2D6
SCHEMBL354822 0.88 SOS1 (0.31) —
SCHEMBL19565230 0.87 — —
SCHEMBL11914336 0.87 HSP90AA1 (0.34) HSP90AA1HSP90AB1GPR84NR1I2LMNA
SCHEMBL15895398 0.87 HSP90AA1 (0.34) HSP90AA1HSP90AB1GPR84NR1I2LMNA
SCHEMBL12594509 0.86 ERBB2 (0.33) ACHE
SCHEMBL2606557 0.86 — —

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-2024310-B1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2012-03-14 — — EP disclosed