SCHEMBL22989152

SCHEMBL22989152

Clc1ccc2cc(-c3nc(-c4ccccc4)c4oc5ccccc5c4n3)ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.50
ALDH1A1 P00352 7/20 0.50
KMT2A Q03164 7/20 0.50
LMNA P02545 6/20 0.50
MEN1 O00255 5/20 0.50
POLB P06746 4/20 0.50
HPGD P15428 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
GAA P10253 2/20 0.50
HSD17B10 Q99714 2/20 0.45
USP2 O75604 1/20 0.45
TSHR P16473 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP2C19 P33261 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HTT P42858 1/20 0.42
AHR P35869 1/20 0.42
ADORA2A P29274 1/20 0.41
CYP3A4 P08684 1/20 0.41

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
SCHEMBL22989022 0.96 MAPT (0.49) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL16902206 0.90 MAPT (0.48) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL16905643 0.89 MAPT (0.48) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL18666138 0.89 MAPT (0.61) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL19136206 0.89 MAPT (0.61) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL16902200 0.86 MAPT (0.46) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL16902178 0.86 MAPT (0.46) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL22057488 0.85 MAPT (0.49) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL22058595 0.85 MAPT (0.46) MAPTALDH1A1KMT2ALMNAMEN1
SCHEMBL18017866 0.84 MAPT (0.50) MAPTALDH1A1KMT2ALMNAMEN1

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 WO disclosed