SCHEMBL29245489

SCHEMBL29245489

C=C(C)C(=O)ON1Cc2ccccc2[S+]1[O-]

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 2/20 0.37
▸ ELANE P08246 1/20 0.33
▸ HSD17B3 P37058 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL29245491 0.80 THRB (0.31) NOTUM
SCHEMBL11630365 0.72 NOTUM (0.47) NOTUMHSD17B3NPC1RAB9A
SCHEMBL7107264 0.66 NOTUM (0.35) NOTUMHSD17B3NPC1RAB9AKMT2A
SCHEMBL1576946 0.66 MAOA (0.38) NOTUMALDH1A1
SCHEMBL9891413 0.64 FABP7 (0.45) NOTUMELANEKDM4EALDH1A1
SCHEMBL8561771 0.64 KDM4E (0.35) NOTUMRAB9AKMT2AKDM4E
SCHEMBL1123067 0.62 MAOA (0.34) —
SCHEMBL11085986 0.62 NPC1 (0.33) NPC1RAB9AKDM4EALDH1A1
SCHEMBL28457434 0.62 KCNH2 (0.33) KMT2A
SCHEMBL8529498 0.62 NOTUM (0.55) NOTUMHSD17B3KMT2AALDH1A1

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-117801163-B Bionic amphoteric ion polymer and preparation method and application thereof 广东省科学院化工研究所 2024-07-30 — — CN claimed
CN-117801163-A Bionic amphoteric ion polymer and preparation method and application thereof 广东省科学院化工研究所 2024-04-02 — — CN claimed
CN-117801163-B Bionic amphoteric ion polymer and preparation method and application thereof 广东省科学院化工研究所 2024-07-30 — — CN disclosed
CN-117801163-A Bionic amphoteric ion polymer and preparation method and application thereof 广东省科学院化工研究所 2024-04-02 — — CN disclosed
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