SCHEMBL29099477

SCHEMBL29099477

CCc1cccc(C=Nc2ccccc2N)c1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 8/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ MAPT P10636 6/20 0.48
▸ POLB P06746 5/20 0.48
▸ L3MBTL1 Q9Y468 4/20 0.48
▸ MPI P34949 2/20 0.48
▸ RECQL P46063 1/20 0.48
▸ AKR1C3 P42330 1/20 0.47
▸ AKR1C2 P52895 1/20 0.47
▸ AKR1C1 Q04828 1/20 0.47
▸ GABRA1 P14867 1/20 0.44
▸ GABRB2 P47870 1/20 0.44
▸ GAA P10253 6/20 0.44
▸ ALOX12 P18054 4/20 0.44
▸ HSD17B10 Q99714 4/20 0.44
▸ USP2 O75604 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ PSMD14 O00487 1/20 0.44
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 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
SCHEMBL30139903 0.90 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL29099460 0.81 ALDH1A1 (0.63) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL28995081 0.80 POLB (0.67) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL28601356 0.80 ALOX12 (0.59) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL14337104 0.79 SIRT2 (0.51) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL29099486 0.77 ALDH1A1 (0.48) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL9492950 0.75 ALOX12 (0.59) ALDH1A1KDM4EMAPTPOLBGABRA1
SCHEMBL14103550 0.75 CA12 (0.75) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL9492944 0.75 ALOX12 (0.59) ALDH1A1KDM4EMAPTPOLBGABRA1
SCHEMBL11743127 0.75 CA12 (0.75) ALDH1A1KDM4EMAPTPOLBL3MBTL1

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-115518689-B Catalyst for preparing glycol by epoxy alkane hydration and preparation method and application thereof 中国石油化工股份有限公司 2023-10-31 — — CN disclosed
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