SCHEMBL24521058

SCHEMBL24521058

C1=CC(c2nc(-c3ccccc3)cc(-c3ccc(-c4cccc(-c5cc6c7cc(-c8cccc9ccccc89)ccc7oc6c6ccccc56)c4)cc3)n2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.35
KMT2A Q03164 1/20 0.35
ALOX5 P09917 1/20 0.33
PIM1 P11309 2/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
PIM3 Q86V86 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32
HPGD P15428 3/20 0.32
PLA2G2A P14555 2/20 0.32
PLA2G4A P47712 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
CASP7 P55210 1/20 0.32
PLA2G10 O15496 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
SCHEMBL24521034 0.90 ALOX5 (0.32) MAPK1ALOX5KDM4EALDH1A1MAPT
SCHEMBL26243816 0.85 MAPK1 (0.42) MAPK1KMT2AALOX5PIM1CSNK2A2
SCHEMBL26243813 0.83 MAPK1 (0.42) MAPK1KMT2AALOX5PIM1CSNK2A2
SCHEMBL24585713 0.81 KMT2A (0.40) MAPK1KMT2AALOX5PIM1CSNK2A2
SCHEMBL24521278 0.80
SCHEMBL26244156 0.78 ALDH1A1 (0.42) MAPK1KMT2AALOX5PIM1CSNK2A2
SCHEMBL26243792 0.77 ALDH1A1 (0.41) MAPK1KMT2AALOX5PIM1CSNK2A2
SCHEMBL23034146 0.77 CYP1A1 (0.43) MAPK1KMT2APIM1KDM4EALDH1A1
SCHEMBL22069949 0.76 ALOX5 (0.42) MAPK1KMT2AALOX5PIM1CSNK2A2
SCHEMBL26243868 0.76 ALDH1A1 (0.42) MAPK1KMT2AALOX5PIM1CSNK2A2

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-4015515-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME LT Materials Co., Ltd. (KR) 2022-06-22 EP disclosed