SCHEMBL10548812

SCHEMBL10548812

O=Cc1ccc(Nc2ccccc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 1/20 0.56
MAPT P10636 5/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 2/20 0.53
GRM5 P41594 1/20 0.44
PDGFRB P09619 2/20 0.43
PDGFRA P16234 2/20 0.43
RAB9A P51151 2/20 0.42
KDM4E B2RXH2 1/20 0.42
ALPG P10696 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2A6 P11509 1/20 0.40
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
TYK2 P29597 1/20 0.40
JAK3 P52333 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.40
CDK2 P24941 2/20 0.40

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
SCHEMBL27909524 0.86 SCN5A (0.48) HCAR3MAPTMEN1KMT2ALMNA
SCHEMBL4222471 0.83 KDM4E (0.50) MAPTMEN1KMT2AGRM5RAB9A
SCHEMBL23094602 0.78 HDAC6 (0.53) MAPTMEN1KMT2ARAB9AKDM4E
SCHEMBL21386707 0.77 MAPK10 (0.46) MAPTLMNAKDM4ECDK2MAPK1
SCHEMBL29952768 0.76 POLB (0.57) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL3685097 0.76 POLB (0.57) MEN1KMT2ALMNAKDM4EALDH1A1
SCHEMBL25190780 0.75 MEN1 (0.50) MEN1KMT2ALMNARAB9AKDM4E
SCHEMBL16055215 0.74 HDAC3 (0.44) MEN1KMT2AGRM5RAB9AKDM4E
SCHEMBL510414 0.74 ALDH1A1 (0.62) MAPTMEN1KMT2ALMNATDP1
SCHEMBL2853688 0.74 ALDH1A1 (0.62) MAPTMEN1KMT2ALMNATDP1

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 3 patents. 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
US-4847251-A CARDIOVASCULAR DISORDERS BOEHRINGER MANNHEIM GMBH (DE) 1989-07-11 US disclosed
EP-0255704-A2 Pyridazinone derivatives, process for their preparation and their use as medicines Roche Diagnostics GmbH (DE) 1988-02-10 EP disclosed