SCHEMBL25460474

SCHEMBL25460474

c1ccc(-c2nc(-c3ccccc3)nc(-c3cccc(-c4cc(-c5ccccc5-c5nc(-c6ccccc6)nc(-c6ccccc6)n5)ccc4-c4ccncc4)c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
ALDH1A1 P00352 5/20 0.49
TSHR P16473 2/20 0.49
HTT P42858 1/20 0.49
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
NOTUM Q6P988 1/20 0.40
TNF P01375 1/20 0.40
KCNA5 P22460 1/20 0.39
KCNH2 Q12809 1/20 0.39
PIK3CA P42336 1/20 0.38
HPGD P15428 3/20 0.38
MEN1 O00255 3/20 0.38

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
SCHEMBL25460879 0.99 SMN1; SMN2 (0.48) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL25460479 0.94 MAPT (0.48) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL25461004 0.93 MAPK9 (0.44) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL21481221 0.93 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL25460888 0.93 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL21481291 0.92 SMN1; SMN2 (0.55) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL21481289 0.92 SMN1; SMN2 (0.51) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL25460589 0.92 MAPT (0.49) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL25460896 0.92 SMN1; SMN2 (0.47) MAPTSMN1; SMN2ALDH1A1TSHRHTT
SCHEMBL25461913 0.91 MAPT (0.46) MAPTSMN1; SMN2ALDH1A1TSHRHTT

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-2023085637-A1 COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2023-05-19 WO disclosed