SCHEMBL28826451

SCHEMBL28826451

O=COCCc1nnc(-c2ccc(C(F)(F)F)cc2)o1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SUCNR1 Q9BXA5 2/20 0.47
▸ NR1H4 Q96RI1 1/20 0.45
▸ QPCT Q16769 2/20 0.45
▸ NPC1 O15118 2/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ POLB P06746 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ GSK3B P49841 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NOTUM Q6P988 2/20 0.40

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
SCHEMBL29082679 0.82 NPC1 (0.50) NR1H4NPC1SMN1; SMN2KDM4ERAB9A
SCHEMBL27851482 0.82 MAPT (0.48) NPC1SMN1; SMN2KDM4ERAB9ATDP1
SCHEMBL27868449 0.82 ALDH1A1 (0.53) NPC1SMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL27851505 0.80 MAPT (0.45) NR1H4NPC1SMN1; SMN2RAB9APOLB
SCHEMBL29082692 0.76 NOTUM (0.46) SUCNR1QPCTNPC1SMN1; SMN2KDM4E
SCHEMBL6605688 0.75 NR1H4 (0.52) SUCNR1NR1H4QPCTNPC1SMN1; SMN2
SCHEMBL5901252 0.74 ALDH1A1 (0.62) SUCNR1NR1H4QPCTNPC1SMN1; SMN2
SCHEMBL21590146 0.74 NPC1 (0.51) SUCNR1NR1H4QPCTNPC1SMN1; SMN2
SCHEMBL3825450 0.74 NOTUM (0.62) SUCNR1NR1H4QPCTNPC1SMN1; SMN2
SCHEMBL13899158 0.74 NOTUM (0.62) SUCNR1NR1H4QPCTNPC1SMN1; SMN2

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-103209979-B therapeutic agent 976 ASTRAZENECA AB (SE) 2016-02-10 — — CN disclosed
Send feedback