SCHEMBL28819233

SCHEMBL28819233

O=C(C=Cc1ccc(Br)cc1)C=Cc1ccc(OCC(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 5/20 0.62
ALDH1A1 P00352 5/20 0.57
LMNA P02545 2/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
TDP1 Q9NUW8 1/20 0.52
KMT2A Q03164 4/20 0.52
HSP90AA1 P07900 1/20 0.52
PKM P14618 4/20 0.51
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL28713319 0.92 GPR183 (0.57) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28819246 0.92 ALDH1A1 (0.60) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28819254 0.88 GPR183 (0.70) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28819228 0.84 PKM (0.53) GPR183ALDH1A1LMNATDP1KMT2A
SCHEMBL28819253 0.83 LMNA (0.79) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28819230 0.83 LMNA (0.51) ALDH1A1LMNASMN1; SMN2TDP1KMT2A
SCHEMBL28819236 0.81 GPR183 (0.62) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28715625 0.80 LMNA (0.68) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28948647 0.80 PKM (0.76) GPR183ALDH1A1LMNASMN1; SMN2TDP1
SCHEMBL28819240 0.79 PKM (0.81) GPR183ALDH1A1LMNASMN1; SMN2TDP1

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-114634465-A Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof 贵州大学 2022-06-17 CN disclosed