SCHEMBL19992839

SCHEMBL19992839

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc(C5Nc6ccccc6N5c5ccccc5)cc4)c4ccccc34)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.41
▸ KDM4E B2RXH2 8/20 0.36
▸ ABCB1 P08183 5/20 0.34
▸ ALDH1A1 P00352 8/20 0.34
▸ HPGD P15428 7/20 0.34
▸ HSD17B10 Q99714 4/20 0.34
▸ CASP1 P29466 2/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 2/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ GLA P06280 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31

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
SCHEMBL24914358 0.91 RAB9A (0.45) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL19369620 0.89 RAB9A (0.44) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL24914141 0.88 RAB9A (0.38) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL19369615 0.84 RAB9A (0.40) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL23099265 0.83 KDM4E (0.35) RAB9AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL19142327 0.82 RAB9A (0.46) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL17808183 0.82 RAB9A (0.36) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL19369611 0.82 RAB9A (0.39) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL22197657 0.82 RAB9A (0.44) RAB9AKDM4EABCB1ALDH1A1HPGD
SCHEMBL21399020 0.81 RAB9A (0.39) RAB9AKDM4EABCB1ALDH1A1HPGD

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-2018052244-A1 ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING AN ELECTRON BUFFER LAYER AND AN ELECTRON TRANSPORT LAYER ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2018-03-22 — — WO disclosed
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