SCHEMBL27613223

SCHEMBL27613223

CCONc1cccc(O)c1C.Nc1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 5/20 0.39
▸ HSD17B10 Q99714 4/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ TSHR P16473 3/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ GAA P10253 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ CA14 Q9ULX7 1/20 0.37
▸ TRPA1 O75762 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35

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
SCHEMBL27861392 0.91 CA12 (0.43) CDC25BHSD17B10ALDH1A1TSHRGAA
SCHEMBL11699661 0.78 ALDH1A1 (0.45) CDC25BHSD17B10ALDH1A1ALOX15GAA
SCHEMBL28044335 0.74 MAPT (0.50) HSD17B10ALDH1A1TSHRALOX15GAA
SCHEMBL27900467 0.69 MAPT (0.50) ALDH1A1GAAMAPTMAPK1NPC1
SCHEMBL71383 0.68 — —
SCHEMBL29975466 0.68 — —
SCHEMBL27607175 0.68 ESR1 (0.36) HSD17B10ALDH1A1TSHRALOX15GAA
SCHEMBL3194480 0.68 MAPT (0.50) CDC25BHSD17B10ALDH1A1TSHRGAA
SCHEMBL27314211 0.67 CYP3A4 (0.34) ALDH1A1TSHRGAASMN1; SMN2CYP3A4
SCHEMBL7938078 0.66 TRPA1 (0.54) CDC25BHSD17B10ALDH1A1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1678284-A Dyeing method for porous material CIBA SC HOLDING AG (CH) 2005-10-05 — — CN disclosed
Send feedback