SCHEMBL30149259

SCHEMBL30149259

O=Cc1cnccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.48
NFE2L2 Q16236 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.36
CCNT1 O60563 1/20 0.35
CDK9 P50750 1/20 0.35
HASPIN Q8TF76 1/20 0.35
SLC22A12 Q96S37 1/20 0.35
NFKB1 P19838 1/20 0.34
CYP2A6 P11509 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KIF11 P52732 1/20 0.33
KDM5A P29375 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL844273 1.00 ERN1 (0.48) ERN1NFE2L2NPC1POLBGAA
SCHEMBL30800801 0.84 ERN1 (0.48) ERN1NFE2L2NPC1POLBGAA
SCHEMBL9274800 0.84 ERN1 (0.48) ERN1NFE2L2NPC1POLBGAA
SCHEMBL25398893 0.80 NFE2L2 (0.39) ERN1NFE2L2NPC1POLBGAA
SCHEMBL13126151 0.80 ALOX5 (0.36) ERN1NFE2L2CCNT1CDK9HASPIN
SCHEMBL3663643 0.80 NFE2L2 (0.36) ERN1NFE2L2NPC1POLBGAA
SCHEMBL16446421 0.77 NFE2L2 (0.40) ERN1NFE2L2NPC1POLBGAA
SCHEMBL14686341 0.77 NFE2L2 (0.46) ERN1NFE2L2NPC1POLBSLC22A12
SCHEMBL29988644 0.75 NFE2L2 (0.40) ERN1NFE2L2NPC1POLBGAA
SCHEMBL20772453 0.73 KIF11 (0.41) NPC1POLBGAASLC22A12L3MBTL1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117736178-B Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2025-03-21 CN disclosed
CN-117736178-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-03-22 CN disclosed
CN-117510468-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-02-06 CN disclosed
CN-117466868-A Dual MAGL and FAAH inhibitors 灵北拉荷亚研究中心公司 2024-01-30 CN disclosed
WO-2022221686-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2022-10-20 WO disclosed