SCHEMBL21635744

SCHEMBL21635744

Cc1c(Nc2nc(O)nc(O)n2)cccc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 2/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 2/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ PTGS2 P35354 2/20 0.51
▸ AKR1C3 P42330 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ HIF1A Q16665 2/20 0.51
▸ AKR1B10 O60218 1/20 0.51
▸ TRPA1 O75762 1/20 0.51
▸ ABCB11 O95342 1/20 0.51
▸ DHFR P00374 1/20 0.51
▸ MPO P05164 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ AKR1B1 P15121 1/20 0.51
▸ PTGS1 P23219 1/20 0.51
▸ AKR1C2 P52895 1/20 0.51
▸ AKR1C1 Q04828 1/20 0.51

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
SCHEMBL21925300 0.84 AURKA (0.59) MAPK8MEN1LMNACYP1A2CYP3A4
SCHEMBL14008602 0.81 AURKA (0.59) MAPK8MEN1LMNACYP1A2CYP3A4
SCHEMBL21635726 0.77 SYK (0.44) MAPK8TDP1AURKA
SCHEMBL3364062 0.76 FABP4 (0.66) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL21924376 0.74 MAPT (0.64) MAPK8MEN1AKR1C3KMT2AAKR1C2
SCHEMBL29603638 0.73 AURKA (0.66) MAPK8MEN1LMNACYP1A2CYP3A4
SCHEMBL5686015 0.73 AURKA (0.66) MAPK8MEN1LMNACYP1A2CYP3A4
SCHEMBL10316415 0.73 NPC1 (0.57) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL856314 0.73 NPC1 (0.57) MEN1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL21925750 0.73 AURKA (0.55) MAPK8KDM4EAURKASMN1; SMN2

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
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
WO-2020017656-A1 COMPOUND, DISPERSANT, DISPERSION COMPOSITION FOR BATTERY, ELECTRODE, AND BATTERY 東洋インキSCホールディングス株式会社 2020-01-23 — — WO disclosed
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