SCHEMBL22913181

SCHEMBL22913181

c1ccc(-c2nc3ccccc3c3c2ccc2c4cccc(-c5ccc(-c6cc7c8ccccc8n8c9ccccc9c(c6)c78)cc5)c4sc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 1/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DHODH Q02127 2/20 0.31
MAPT P10636 2/20 0.30
GAA P10253 1/20 0.30
NUDT1 P36639 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
ALOX5 P09917 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL22913436 0.94 MEN1 (0.32) LIMK1MEN1KMT2APOLBHSD17B10
SCHEMBL22913679 0.90 MEN1 (0.31) LIMK1MEN1KMT2APOLBHSD17B10
SCHEMBL22914004 0.87 LIMK1 (0.40) LIMK1MEN1KMT2ADHODHMAPT
SCHEMBL22913813 0.87 LIMK1 (0.35) LIMK1MEN1KMT2APOLBHSD17B10
SCHEMBL22913518 0.86 LIMK1 (0.33) LIMK1MEN1KMT2APOLBHSD17B10
SCHEMBL22913667 0.85 HSD17B10 (0.33) MEN1KMT2APOLBHSD17B10MAPT
SCHEMBL22913238 0.84 MEN1 (0.31) MEN1KMT2APOLBHSD17B10ALOX5
SCHEMBL22914003 0.84 LIMK1 (0.38) LIMK1MEN1KMT2ADHODHMAPT
SCHEMBL22913437 0.83 LIMK1 (0.37) LIMK1MEN1KMT2ADHODHMAPT
SCHEMBL22913998 0.83 ALOX5 (0.39) LIMK1MEN1KMT2ADHODHMAPT

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-2021015497-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 엘티소재주식회사 2021-01-28 WO disclosed