SCHEMBL31035381

SCHEMBL31035381

O=S(=O)(O)OCCc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
IDO1 P14902 3/20 0.40
CTBP2 P56545 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
AOC3 Q16853 1/20 0.40
KCNH2 Q12809 1/20 0.40
PNMT P11086 1/20 0.39
PTGES2 Q9H7Z7 1/20 0.39
ALDH1A1 P00352 2/20 0.39

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
SCHEMBL4852971 0.82 TAAR1 (0.46) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL29003472 0.81 TAAR1 (0.44) TAAR1IDO1CTBP2SLC6A2SLC6A4
SCHEMBL5075684 0.80 CA1 (0.38) ALDH1A1
SCHEMBL28854623 0.79 CA1 (0.41) NPC1RAB9AALDH1A1
SCHEMBL4742721 0.75 ALDH1A1 (0.50) NPC1RAB9AALDH1A1
SCHEMBL8209789 0.74 TP53 (0.51) TAAR1ALDH1A1
SCHEMBL28565719 0.74 TAAR1 (0.58) TAAR1HTR3EHTR3BHTR3AHTR3D
Sulfuric Acid SCHEMBL29003475 0.74 TAAR1 (0.48) TAAR1HTR3EHTR3BHTR3AHTR3D
SCHEMBL3373578 0.73 CA1 (0.66) NPC1RAB9AALDH1A1
SCHEMBL5584302 0.73 TAAR1 (0.52) TAAR1HTR3EHTR3BHTR3AHTR3D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4680612-A1 CHEMICAL COMPOUNDS AN2 Therapeutics, Inc. (US) 2026-01-21 EP disclosed
WO-2025007074-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2025-01-02 WO disclosed
WO-2024192309-A1 CHEMICAL COMPOUNDS REACTIVE BIOSCIENCES, INC. (US) 2024-09-19 WO disclosed