SCHEMBL15046337

SCHEMBL15046337

CC(C)(C)c1ccc(N2c3ccccc3C(C)(C)c3ccc(-c4ccc(-c5ccc6c(c5)C(C)(C)c5cc(-c7ccc8c(c7)C(C)(C)c7cc9c(cc7-8)C(C)(C)c7ccccc7N9c7ccc8ccccc8c7)ccc5-6)cc4)cc32)cc1

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL15046345 0.92 ALDH1A1 (0.34) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL15046327 0.91 ALDH1A1 (0.30) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL15046321 0.89 NR1H2 (0.34) —
SCHEMBL15046336 0.87 ALDH1A1 (0.34) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL15046362 0.87 — —
SCHEMBL15046346 0.86 ALDH1A1 (0.34) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL25582880 0.85 ALDH1A1 (0.34) ALDH1A1LMNACYP1A2CYP2C9HPGD
SCHEMBL15046416 0.85 NR1H2 (0.36) —
SCHEMBL15046253 0.85 NR1H2 (0.36) —
SCHEMBL15046390 0.84 NR1H2 (0.33) —

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-2013089460-A1 NOVEL CHEMICAL COMPOUND HAVING AN ACRIDINE STRUCTURE, AND ORGANIC LIGHT-EMITTING DIODE USING SAME 주식회사 두산 (KR) 2013-06-20 — — WO disclosed
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