SCHEMBL28819232

SCHEMBL28819232

O=C(CCl)N1CCN(S(=O)(=O)c2ccc(Br)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 3/20 0.66
TEAD4 Q15561 3/20 0.66
TEAD2 Q15562 1/20 0.66
RAB9A P51151 4/20 0.64
PKM P14618 3/20 0.64
KMT2A Q03164 2/20 0.64
MEN1 O00255 1/20 0.64
NPC1 O15118 2/20 0.62
MITF O75030 1/20 0.62
ALDH1A1 P00352 3/20 0.62
LMNA P02545 2/20 0.62
GPR183 P32249 1/20 0.58
MDM2 Q00987 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
SCHEMBL28700737 0.87 LMNA (0.69) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL20323444 0.85 YAP1 (0.84) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL28819243 0.85 ALDH1A1 (0.69) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL20300422 0.85 PKM (0.71) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL28819238 0.82 CNR1 (0.62) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL28819234 0.82 YAP1 (0.77) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL28706429 0.82 ALDH1A1 (0.70) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL28819237 0.82 YAP1 (0.65) YAP1TEAD4TEAD2RAB9APKM
SCHEMBL5443874 0.81 GPR183 (0.63) PKMKMT2AALDH1A1LMNAGPR183
SCHEMBL23259438 0.81 YAP1 (0.60) YAP1TEAD4TEAD2RAB9APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114634465-B Pentadienone derivative containing sulfonyl piperazine as well as preparation method and application thereof 贵州大学 2023-05-30 CN disclosed
CN-114634465-A Sulfonyl piperazine-containing pentadiene ketone derivative and preparation method and application thereof 贵州大学 2022-06-17 CN disclosed