SCHEMBL29168406

SCHEMBL29168406

COc1ccc(C(=O)O)c2n[nH]cc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC25B P30305 2/20 0.48
▸ MAPT P10636 2/20 0.46
▸ TDP1 Q9NUW8 2/20 0.46
▸ KDM4E B2RXH2 5/20 0.43
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CYP2C9 P11712 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PLK1 P53350 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ PIM1 P11309 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ DYRK2 Q92630 1/20 0.39
▸ PDE10A Q9Y233 1/20 0.39
▸ MYC P01106 1/20 0.39
▸ HPGDS O60760 1/20 0.39

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
SCHEMBL27186423 0.86 KDM4E (0.42) CDC25BMAPTKDM4EHSD17B10GAA
SCHEMBL30853351 0.86 PARP1 (0.43) CDC25BMAPTKDM4EHPGDALDH1A1
SCHEMBL11438355 0.73 KDM4E (0.54) CDC25BKDM4EALDH1A1HSD17B10CYP2C9
SCHEMBL27186312 0.73 NQO2 (0.46) MAPTKDM4EALDH1A1GAA
SCHEMBL6956136 0.71 TDP1 (0.50) CDC25BMAPTTDP1KDM4EHPGD
SCHEMBL1202591 0.71 ALDH1A1 (0.46) CDC25BMAPTTDP1KDM4EHPGD
SCHEMBL27186991 0.71 HSD17B10 (0.50) MAPTTDP1KDM4EHPGDALDH1A1
SCHEMBL4469856 0.70 CDC25B (0.78) CDC25BMAPTTDP1KDM4EHPGD
SCHEMBL18018335 0.70 TDP1 (0.47) CDC25BMAPTTDP1KDM4EHPGD
Hydrochloric Acid SCHEMBL11445757 0.69 CDC25B (0.76) CDC25BMAPTTDP1KDM4EHPGD

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-117651701-A Novel substituted bicyclic aza heterocycles as SOS1 inhibitors 唯久生物技术(苏州)有限公司 2024-03-05 — — CN disclosed
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