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SCHEMBL18965405

SCHEMBL18965405

C1=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(C6C=C(c7ccc(-c8ccccc8)cc7)NC(c7ccccc7)N6)cc5)c5ccccc45)c4ccccc34)cc2)NC(c2ccccc2)NC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL18965420 0.90 MEN1 (0.32) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18965434 0.86 — —
SCHEMBL18965410 0.84 HTR2C (0.31) —
SCHEMBL18965449 0.84 RAB9A (0.35) ALDH1A1HPGD
SCHEMBL18786172 0.83 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL18965418 0.83 KDM4E (0.35) ALDH1A1CYP1A2CYP2C9HPGDTSHR
SCHEMBL18965422 0.83 MEN1 (0.33) ALDH1A1CYP1A2HSD17B10
SCHEMBL23479403 0.81 — —
SCHEMBL22842171 0.81 HDAC4 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL17691079 0.81 HDAC4 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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-2017099430-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2017-06-15 — — WO disclosed
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