SCHEMBL25269754

SCHEMBL25269754

NC(=O)C1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 5/20 0.80
EIF2AK3 Q9NZJ5 1/20 0.75
AKR1C1 Q04828 2/20 0.68
MCOLN3 Q8TDD5 3/20 0.59
TSHR P16473 1/20 0.59
LMNA P02545 3/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NPSR1 Q6W5P4 1/20 0.54
PKM P14618 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL5246679 0.89 AKR1C3 (1.00) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR
SCHEMBL7312299 0.85 AKR1C3 (0.93) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR
SCHEMBL22191886 0.85 AKR1C3 (1.00) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR
SCHEMBL28983197 0.85 AKR1C3 (0.70) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR
SCHEMBL21670262 0.84 LMNA (0.70) AKR1C3AKR1C1TSHRLMNAALDH1A1
SCHEMBL5244699 0.83 EIF2AK3 (0.74) AKR1C3EIF2AK3AKR1C1TSHRALDH1A1
SCHEMBL6791608 0.82 CYP2C19 (0.76) AKR1C3EIF2AK3TSHRALDH1A1KMT2A
SCHEMBL7304595 0.81 AKR1C3 (0.82) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR
SCHEMBL610187 0.81 EIF2AK3 (0.72) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR
SCHEMBL610186 0.81 EIF2AK3 (0.72) AKR1C3EIF2AK3AKR1C1MCOLN3TSHR

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
EP-4192816-A1 COMPOUNDS AS C5AR INHIBITORS Kira Pharmaceuticals (Suzhou) Ltd. (CN) 2023-06-14 EP disclosed