SCHEMBL8085805

SCHEMBL8085805

N#Cc1ccn(-c2ccco2)c1-c1ccco1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 14/20 0.40
▸ MEN1 O00255 7/20 0.40
▸ KMT2A Q03164 7/20 0.40
▸ ALOX12 P18054 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM4E B2RXH2 12/20 0.35
▸ HPGD P15428 11/20 0.35
▸ MAPT P10636 6/20 0.35
▸ POLB P06746 4/20 0.35
▸ TSHR P16473 2/20 0.35
▸ HSD17B10 Q99714 8/20 0.35
▸ TDP1 Q9NUW8 5/20 0.35
▸ GAA P10253 4/20 0.35
▸ ALOX15 P16050 4/20 0.35
▸ FLT3 P36888 1/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.33
▸ ADORA2A P29274 2/20 0.33
▸ ADORA2B P29275 2/20 0.33
▸ ADORA1 P30542 2/20 0.33
▸ KDM5A P29375 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
SCHEMBL11602553 0.66 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL4432982 0.64 POLB (0.43) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL8476284 0.64 MEN1 (0.50) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL31264118 0.64 MEN1 (0.50) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL11603793 0.62 ALDH1A1 (0.63) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL28953556 0.61 FLT3 (0.48) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL10504532 0.60 ADORA2A (0.42) ALDH1A1MEN1KMT2AALOX12NPSR1
SCHEMBL31612199 0.60 ADORA2A (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL29683950 0.60 ADORA2A (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD
SCHEMBL31612203 0.60 ADORA2A (0.49) ALDH1A1MEN1KMT2AKDM4EHPGD

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-0795596-B1 Fuel compositions SHELL INT RESEARCH (NL) 2000-10-11 — — EP claimed
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