SCHEMBL29956438

SCHEMBL29956438

Nc1cc2ccccc2nc1C=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
GAA P10253 4/20 0.47
KMT2A Q03164 4/20 0.47
KDM4E B2RXH2 4/20 0.47
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
GLA P06280 2/20 0.47
HPGD P15428 2/20 0.47
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47
PTBP1 P26599 1/20 0.47
RCE1 Q9Y256 1/20 0.47
MAPT P10636 3/20 0.46
ACHE P22303 1/20 0.46
HTR3A P46098 1/20 0.44
IKBKB O14920 1/20 0.43
MEN1 O00255 2/20 0.42
USP2 O75604 1/20 0.42
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42

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
SCHEMBL7891555 0.78 ALDH1A1 (0.54) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL2015910 0.78 ALDH1A1 (0.48) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL28002083 0.78 PDGFRB (0.54) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL14911960 0.77 TDP1 (0.53) ALDH1A1GAAKDM4ERAB9AGLA
SCHEMBL28289877 0.77 ALDH1A1 (0.46) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL28184293 0.77 ALDH1A1 (0.46) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL3661878 0.77 ALDH1A1 (0.53) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL29956188 0.77 ALDH1A1 (0.53) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL6965074 0.77 ALDH1A1 (0.46) ALDH1A1GAAKMT2AKDM4ENPC1
SCHEMBL28678460 0.74 ALDH1A1 (0.47) ALDH1A1GAAKMT2AKDM4ENPC1

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed