SCHEMBL22013897

SCHEMBL22013897

O=C1C=Cc2ncccc21

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 5/20 0.63
S100A4 P26447 4/20 0.63
IDO1 P14902 3/20 0.50
PIN1 Q13526 2/20 0.50
MAOA P21397 1/20 0.50
MAOB P27338 1/20 0.50
AKT1 P31749 1/20 0.50
SNCA P37840 1/20 0.50
MAP2K1 Q02750 1/20 0.50
EHMT2 Q96KQ7 1/20 0.50
NSD1 Q96L73 1/20 0.50
EHMT1 Q9H9B1 1/20 0.50
KMT2A Q03164 4/20 0.46
TDP2 O95551 3/20 0.46
NSD2 O96028 3/20 0.46
PAX8 Q06710 3/20 0.46
TDP1 Q9NUW8 3/20 0.46
MEN1 O00255 3/20 0.46
THRB P10828 3/20 0.46
BLM P54132 2/20 0.46

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
SCHEMBL30646118 1.00 CDC25B (0.63) CDC25BS100A4IDO1PIN1MAOA
SCHEMBL30777763 0.87 S100A4 (0.53) CDC25BS100A4IDO1PIN1MAOA
SCHEMBL421295 0.87 S100A4 (0.53) CDC25BS100A4IDO1PIN1MAOA
SCHEMBL421598 0.84 S100A4 (0.50) CDC25BS100A4IDO1PIN1MAOA
SCHEMBL1507074 0.77 S100A4 (1.00) CDC25BS100A4IDO1PIN1MAOA
SCHEMBL29747118 0.77 S100A4 (1.00) CDC25BS100A4IDO1PIN1MAOA
SCHEMBL13859953 0.74 CDC25B (0.39) CDC25BS100A4KMT2ATDP2NSD2
SCHEMBL13629273 0.72 CYP1A2 (0.57) CDC25BS100A4MAOAMAOBKMT2A
SCHEMBL10636878 0.72 MAOA (0.47) CDC25BS100A4IDO1PIN1MAOA
Naphthoquinone SCHEMBL27485628 0.72 CDC25B (0.57) CDC25BS100A4IDO1PIN1MAOA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020113373-A1 METHOD OF TREATING AGE-RELATED MACULAR DEGENERATION ZHUHAI QIWEI BIO-TECHNOLOGY LTD. (CN) 2020-06-11 WO disclosed
WO-2020113759-A1 METHOD OF TREATING AGE-RELATED MACULAR DEGENERATION ZHUHAI QIWEI BIO-TECHNOLOGY LTD. (CN) 2020-06-11 WO disclosed
WO-2020098630-A1 ANIMAL MODELS, SCREENING METHODS, AND TREATMENT METHODS FOR INTRAOCULAR DISEASES OR DISORDERS ZHUHAI QIWEI BIO-TECHNOLOGY LTD. (CN) 2020-05-22 WO disclosed