SCHEMBL30033007

SCHEMBL30033007

O=c1[nH]c2ccc(OC(F)F)cc2c(=O)n1-c1cncc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 2/20 0.43
▸ PKM P14618 2/20 0.43
▸ NPEPPS P55786 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.38
▸ HTT P42858 1/20 0.38
▸ MALT1 Q9UDY8 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ TP53 P04637 1/20 0.34
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ GRIN1 Q05586 2/20 0.34
▸ GRIN2B Q13224 2/20 0.34
▸ TUBB4A P04350 1/20 0.34
▸ TUBB P07437 1/20 0.34
▸ TUBA3C P0DPH7 1/20 0.34
▸ TUBA1B P68363 1/20 0.34
▸ TUBA4A P68366 1/20 0.34
▸ TUBB4B P68371 1/20 0.34

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
SCHEMBL30033459 0.88 PKM (0.43) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL30034581 0.86 HSD17B10 (0.58) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL30033456 0.86 HSD17B10 (0.41) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL30034219 0.84 NPEPPS (0.43) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL27380583 0.81 CYP11B1 (0.45) HSD17B10PKMNPEPPSMALT1CYP11B1
SCHEMBL31509793 0.81 NPEPPS (0.57) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL30033042 0.80 KDM4E (0.57) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL30032168 0.80 NPEPPS (0.49) HSD17B10PKMNPEPPSKDM4EHTT
SCHEMBL30032902 0.80 HSP90AA1 (0.48) NPEPPSKDM4EHTTKMT2A
SCHEMBL30033426 0.80 NPEPPS (0.43) HSD17B10PKMNPEPPSKDM4EHTT

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
WO-2022224223-A1 COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CORONAVIRAL RELATED DISEASES NOVARTIS AG (CH) 2022-10-27 — — WO disclosed
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