SCHEMBL29150273

SCHEMBL29150273

COC(=O)CCCOC(F)(c1cccc2c(=O)n(Cc3ccc(OC)cc3)ncc12)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.41
▸ LMNA P02545 3/20 0.38
▸ MAPT P10636 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MCHR1 Q99705 1/20 0.38
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CYP11B1 P15538 1/20 0.37
▸ CYP11B2 P19099 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ RAB9A P51151 1/20 0.37

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
SCHEMBL29150308 0.93 NPBWR1 (0.41) NPBWR1LMNAMAPTALDH1A1HPGD
SCHEMBL27077806 0.82 NPBWR1 (0.42) NPBWR1LMNAMAPTHPGDSMN1; SMN2
SCHEMBL27435541 0.79 NPBWR1 (0.43) NPBWR1LMNAMAPTALDH1A1HPGD
SCHEMBL27077886 0.75 NPBWR1 (0.42) NPBWR1LMNAMAPTALDH1A1HPGD
SCHEMBL27077642 0.73 NPBWR1 (0.49) NPBWR1MCHR1AURKAAURKB
SCHEMBL27435536 0.71 NPBWR1 (0.43) NPBWR1LMNAMAPTALDH1A1HPGD
SCHEMBL27077786 0.71 NPBWR1 (0.43) NPBWR1MCHR1CYP11B1CYP11B2
SCHEMBL27435547 0.71 NPBWR1 (0.53) NPBWR1MCHR1AURKAAURKB
SCHEMBL27077803 0.69 NPBWR1 (0.56) NPBWR1MCHR1AURKAAURKB
SCHEMBL29987354 0.68 NPBWR1 (0.41) NPBWR1LMNAMAPTALDH1A1HPGD

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-117460723-A Pharmaceutical compounds 杜克街生物有限公司 2024-01-26 — — CN disclosed
Send feedback