SCHEMBL18965449

SCHEMBL18965449

C1=C(c2ccc(-c3ccc(-c4ccc(-c5ccc(C6Nc7ccccc7N6c6ccccc6)cc5)c5ccccc45)c4ccccc34)cc2)NC(c2ccccc2)NC1c1ccc(-c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.33
▸ ABCB1 P08183 2/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 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
SCHEMBL25652022 0.90 KDM4E (0.36) RAB9AKDM4EABCB1ALDH1A1MEN1
SCHEMBL19293189 0.84 RAB9A (0.31) RAB9A
SCHEMBL18965405 0.84 ALDH1A1 (0.33) ALDH1A1HPGD
SCHEMBL25930109 0.83 KDM4E (0.33) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL25930099 0.81 KDM4E (0.34) RAB9AKDM4EALDH1A1MAPTHPGD
SCHEMBL18965420 0.75 MEN1 (0.32) ALDH1A1MAPTHPGDMEN1KMT2A
SCHEMBL19142327 0.75 RAB9A (0.46) RAB9AKDM4EABCB1ALDH1A1MAPT
SCHEMBL22197657 0.74 RAB9A (0.44) RAB9AKDM4EABCB1ALDH1A1MAPT
SCHEMBL19992839 0.74 RAB9A (0.41) RAB9AKDM4EABCB1ALDH1A1MAPT
SCHEMBL18544980 0.73 — —

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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