SCHEMBL22013889

SCHEMBL22013889

c1ccc2c(-c3cccc4[nH]ccc34)cccc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.53
AHR P35869 2/20 0.50
TRPA1 O75762 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
ITGB2 P05107 1/20 0.50
ICAM1 P05362 1/20 0.50
ITGAL P20701 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
ADK P55263 1/20 0.50
MAPK14 Q16539 4/20 0.47
PIK3CB P42338 2/20 0.46
PIK3CG P48736 1/20 0.45
ASH1L Q9NR48 1/20 0.45
DHFR P00374 1/20 0.44
PARP1 P09874 1/20 0.44
RHEB Q15382 1/20 0.42
CSNK2B P67870 1/20 0.42
CSNK2A1 P68400 1/20 0.42

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
SCHEMBL20540332 0.87 PIK3CD (0.64) PIK3CDAHRMAPK14PIK3CBPIK3CG
SCHEMBL3291196 0.84 ALDH1A1 (0.53) ASH1LKDM4E
SCHEMBL6322730 0.78 PIK3CD (0.61) PIK3CDAHRMAPK14PIK3CBPIK3CG
SCHEMBL6330094 0.78 MAPK14 (0.53) PIK3CDAHRTRPA1MAPK14PIK3CB
SCHEMBL6321487 0.78 RHEB (0.57) PIK3CDAHRMAPK14PIK3CBASH1L
SCHEMBL27504679 0.78 PIK3CD (0.51) PIK3CDAHRCA1CA2CA4
SCHEMBL29712113 0.78 PIK3CD (0.70) PIK3CDAHRMAPK14PIK3CBPIK3CG
SCHEMBL2193011 0.78 PIK3CD (0.70) PIK3CDAHRMAPK14PIK3CBPIK3CG
SCHEMBL28534545 0.78 PARP1 (0.45) AHRTRPA1CA1CA2ITGB2
SCHEMBL25302086 0.78 ALDH1A1 (0.59) CA1CA2KDM4EALPLGAA

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