SCHEMBL21925740

SCHEMBL21925740

CC(=O)Nc1cccc(Nc2nc(O)nc(O)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.59
▸ ALDH1A1 P00352 2/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CSNK2A1 P68400 4/20 0.52
▸ NEK2 P51955 1/20 0.52
▸ HSD17B10 Q99714 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ KIT P10721 1/20 0.51
▸ FLT3 P36888 1/20 0.51
▸ AURKA O14965 1/20 0.51
▸ AURKB Q96GD4 1/20 0.51
▸ ABCG2 Q9UNQ0 3/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ ABCB1 P08183 1/20 0.50
▸ ABCC1 P33527 1/20 0.50
▸ SYK P43405 1/20 0.50
▸ PLK1 P53350 1/20 0.50
▸ KDM4E B2RXH2 1/20 0.49

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
SCHEMBL21635739 0.88 RHOA (0.66) MAP3K5ALDH1A1CYP1A2CSNK2A1RAB9A
SCHEMBL12443884 0.84 MAP3K5 (0.63) MAP3K5ALDH1A1CYP1A2CSNK2A1NEK2
SCHEMBL21925745 0.83 POLB (0.68) ALDH1A1CYP1A2HSD17B10POLBRAB9A
SCHEMBL12515414 0.83 MAP3K5 (0.58) MAP3K5ALDH1A1CYP1A2CSNK2A1NEK2
SCHEMBL2219871 0.83 POLB (0.72) MAP3K5ALDH1A1CYP1A2CSNK2A1NEK2
SCHEMBL3246720 0.83 POLB (0.68) MAP3K5ALDH1A1CYP1A2CSNK2A1NEK2
SCHEMBL16928500 0.80 MAP3K5 (0.54) MAP3K5ALDH1A1CYP1A2CSNK2A1NEK2
SCHEMBL1901172 0.79 ALDH1A1 (0.76) ALDH1A1CYP1A2HSD17B10POLBNR4A1
SCHEMBL21925736 0.78 KDR (0.51) ALDH1A1CSNK2A1POLBRAB9AL3MBTL1
SCHEMBL12443882 0.77 MAP3K5 (0.52) MAP3K5ALDH1A1CYP1A2CSNK2A1NEK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11352511-B2 Dispersant, dispersant composition, dispersion composition for batteries, electrode and battery TOYO INK SC HOLDINGS CO., LTD. (JP) 2022-06-07 — — US disclosed
US-20200131379-A1 DISPERSANT, DISPERSANT COMPOSITION, DISPERSION COMPOSITION FOR BATTERIES, ELECTRODE AND BATTERY TOYO INK SC HOLDINGS CO., LTD. (JP) 2020-04-30 — — US disclosed
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