SCHEMBL24155409

SCHEMBL24155409

c1cc(Nc2ccc3c(c2)oc2ccccc23)cc(-c2ccc3ocnc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
EPHX2 P34913 1/20 0.41
PRKD1 Q15139 1/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 4/20 0.38
HSD17B10 Q99714 3/20 0.38
TGFBR1 P36897 1/20 0.38
DUSP3 P51452 1/20 0.37
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
PIK3CD O00329 1/20 0.37

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
SCHEMBL24156019 0.84 NPC1 (0.52) DYRK1ASMN1; SMN2NPC1RAB9AEPHX2
SCHEMBL29303809 0.82 KMT2A (0.48) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL17742550 0.81 EPHX2 (0.55) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL30966891 0.81 EPHX2 (0.55) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL31685994 0.81 EPHX2 (0.55) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL24587105 0.79 KDM4E (0.50) DYRK1ASMN1; SMN2NPC1RAB9AMEN1
SCHEMBL23765034 0.78 EPHX2 (0.51) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL27384121 0.78 EPHX2 (0.55) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL10110659 0.78 EPHX2 (0.50) SMN1; SMN2NPC1RAB9AEPHX2MEN1
SCHEMBL29303803 0.77 DUSP3 (0.46) SMN1; SMN2NPC1RAB9AEPHX2MEN1

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-2021261851-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE COMPRISING SAME ORGANIC ELECTRIC ELEMENT 덕산네오룩스 주식회사 2021-12-30 WO disclosed