SCHEMBL31549971

SCHEMBL31549971

CCc1ccc2[nH]c3ccc(C)cc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 6/20 0.53
HSD17B10 Q99714 4/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ACHE P22303 2/20 0.51
NPC1 O15118 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
ALDH1A1 P00352 6/20 0.46
KDM4E B2RXH2 5/20 0.46
MAPT P10636 5/20 0.46
HPGD P15428 2/20 0.46
GAA P10253 2/20 0.46
ALOX15 P16050 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RAB9A P51151 2/20 0.46
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL13019107 1.00 KIF11 (0.53) KIF11HSD17B10SMN1; SMN2ACHENPC1
SCHEMBL5494899 0.90 KIF11 (0.62) KIF11HSD17B10SMN1; SMN2NPC1MEN1
SCHEMBL30458204 0.90 KIF11 (0.62) KIF11HSD17B10SMN1; SMN2NPC1MEN1
SCHEMBL14922485 0.87 NPC1 (0.59) KIF11HSD17B10SMN1; SMN2NPC1MEN1
SCHEMBL22846499 0.85 HSD17B10 (0.54) KIF11HSD17B10SMN1; SMN2ACHENPC1
SCHEMBL345690 0.83 KIF11 (0.67) KIF11HSD17B10SMN1; SMN2ACHENPC1
SCHEMBL29362354 0.83 KIF11 (0.67) KIF11HSD17B10SMN1; SMN2ACHENPC1
SCHEMBL13071245 0.82 NPC1 (0.58) KIF11HSD17B10SMN1; SMN2NPC1MEN1
SCHEMBL18705485 0.82 KDM4E (0.41) KIF11HSD17B10SMN1; SMN2ACHENPC1
SCHEMBL17226000 0.81 KIF11 (0.64) KIF11HSD17B10SMN1; SMN2ALDH1A1KDM4E

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
CN-114685353-B Organic compound for organic light-emitting device and organic electroluminescent device 北京鼎材科技有限公司 2025-04-08 CN disclosed