SCHEMBL31390293

SCHEMBL31390293

Fc1cc(-c2ccncc2)c(F)cc1Br

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK14 Q16539 7/20 0.38
GCGR P47871 3/20 0.38
IMPDH2 P12268 1/20 0.38
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
CYP17A1 P05093 1/20 0.36
CYP21A2 P08686 1/20 0.36
CYP11B1 P15538 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36

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
SCHEMBL21652626 0.87 LMNA (0.50) AKR1C3AKR1C2LMNAMAPTMAPK14
SCHEMBL9497334 0.79 ALDH1A1 (0.48) AKR1C3AKR1C2LMNAMAPT
SCHEMBL29914912 0.79 NOTUM (0.58) AKR1C3AKR1C2MAPK14GCGRIMPDH2
SCHEMBL2658421 0.76 IMPDH2 (0.49) AKR1C3AKR1C2LMNAMAPTMAPK14
SCHEMBL2650141 0.76 IMPDH2 (0.49) LMNAMAPTMAPK14GCGRIMPDH2
SCHEMBL7858850 0.76 PTGS2 (0.50) PDE3BPDE3A
SCHEMBL20654512 0.75 AKR1C3 (0.50) AKR1C3AKR1C2MAPK14GCGRPDE3B
SCHEMBL29534134 0.75 AKR1C3 (0.50) AKR1C3AKR1C2MAPK14GCGRPDE3B
SCHEMBL430474 0.73 CYP17A1 (0.50) LMNAMAPTAAK1CYP17A1CYP21A2
SCHEMBL28705408 0.73 ESR1 (0.37) AKR1C3AKR1C2PDE3BPDE3ACYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119350647-A Preparation method of flexible two-dimensional zinc-based complex and application of flexible two-dimensional zinc-based complex in separation of low-carbon hydrocarbon 中国石油大学(华东) 2025-01-24 CN claimed
CN-119350647-B Preparation method of flexible two-dimensional zinc-based complex and application of flexible two-dimensional zinc-based complex in separation of low-carbon hydrocarbon 中国石油大学(华东) 2025-11-21 CN disclosed
CN-119350647-A Preparation method of flexible two-dimensional zinc-based complex and application of flexible two-dimensional zinc-based complex in separation of low-carbon hydrocarbon 中国石油大学(华东) 2025-01-24 CN disclosed
CN-119350647-A Preparation method of flexible two-dimensional zinc-based complex and application of flexible two-dimensional zinc-based complex in separation of low-carbon hydrocarbon 中国石油大学(华东) 2025-01-24 CN disclosed