SCHEMBL22013891

SCHEMBL22013891

c1cc(-c2cccc3scnc23)c2nccnc2c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 2/20 0.46
MAPT P10636 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NAMPT P43490 3/20 0.38
CISD1 Q9NZ45 1/20 0.35
GLO1 Q04760 1/20 0.31
MAPK8 P45983 1/20 0.30
MAPK9 P45984 1/20 0.30
MAPK10 P53779 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
SCHEMBL3069598 0.81 KDM4E (0.58) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL28037999 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL27920219 0.74 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPTKDM4EMEN1
SCHEMBL12637458 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ENAMPT
SCHEMBL27451256 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EPOLBKMT2A
SCHEMBL27877183 0.74 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4ENAMPT
SCHEMBL25523906 0.74 MAPT (0.50) ALDH1A1MAPTKDM4EMEN1USP2
SCHEMBL926871 0.73 NAMPT (0.46) ALDH1A1HSD17B10KDM4ENAMPT
SCHEMBL12637452 0.72 ALDH1A1 (0.41) ALDH1A1HSD17B10MAPTKDM4ENAMPT
SCHEMBL25462074 0.72 KDM4E (0.39) ALDH1A1HSD17B10MAPTKDM4EMEN1

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