SCHEMBL22992268

SCHEMBL22992268

Cc1ccc(-c2ccccc2)cc1N(I)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS2 Q9H2K2 1/20 0.37
MAOA P21397 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 2/20 0.36
KDM4E B2RXH2 1/20 0.36
USP2 O75604 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
ALOX15 P16050 1/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
BACE1 P56817 1/20 0.36
CYP3A4 P08684 2/20 0.35
TAAR1 Q96RJ0 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL26785956 0.96 TNKS2 (0.37) TNKS2MAOAALDH1A1MEN1KMT2A
SCHEMBL24292566 0.79 TDP1 (0.39) ALDH1A1MEN1KMT2AHSD17B10GAA
SCHEMBL24794314 0.79 TAAR1 (0.41) TNKS2MAOAALDH1A1MEN1KMT2A
SCHEMBL23967648 0.78 MEN1 (0.39) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL24774796 0.78 CHKA (0.40) TNKS2TAAR1ALOX5HSD17B1HSD17B2
SCHEMBL20837221 0.77 ALDH1A1 (0.50) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL22049799 0.77 ALDH1A1 (0.50) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL22049798 0.75 TAAR1 (0.48) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL7029691 0.75 TAAR1 (0.48) MAOAALDH1A1MEN1KMT2AHSD17B10
SCHEMBL24775403 0.75 TNKS2 (0.38) TNKS2MAOATAAR1HSD17B1HSD17B2

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-2021027172-A1 HOLE TRANSPORT MATERIAL AND PREPARATION METHOD THEREFOR, AND ORGANIC LIGHT-EMITTING DEVICE 武汉华星光电半导体显示技术有限公司 2021-02-18 WO disclosed