SCHEMBL22955686

SCHEMBL22955686

O=C(O)c1ccc2[nH]c(-c3cccc4ccccc34)nc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.53
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
HPGD P15428 3/20 0.53
NPC1 O15118 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KMT2A Q03164 4/20 0.49
POLB P06746 3/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
TDP1 Q9NUW8 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
MEN1 O00255 3/20 0.47
CHEK2 O96017 2/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45
HDAC6 Q9UBN7 2/20 0.44
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44

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
SCHEMBL3169656 0.90 TDP1 (0.60) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL22956070 0.87 F2 (0.44) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL22955365 0.85 SMN1; SMN2 (0.54) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL31429585 0.84 F2 (0.55) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL12471073 0.84 F2 (0.55) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL17275548 0.83 RAB9A (0.60) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL22955364 0.81 HPGD (0.55) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL828113 0.81 KDM4E (0.56) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL2309903 0.81 RAB9A (0.50) RAB9AKDM4EALDH1A1HPGDNPC1
SCHEMBL8611783 0.80 KDM4E (0.69) RAB9AKDM4EALDH1A1HPGDNPC1

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-2021022061-A1 ARYL HYDROCARBON RECEPTOR ACTIVATORS OREGON STATE UNIVERSITY (US) 2021-02-04 WO disclosed