SCHEMBL29948975

SCHEMBL29948975

O=S(=O)(Cl)c1ccc(C(F)(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.52
SLC40A1 Q9NP59 3/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CYP2C9 P11712 1/20 0.43
SLC22A6 Q4U2R8 1/20 0.43
SLC22A8 Q8TCC7 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
SLC22A11 Q9NSA0 1/20 0.43
KCNH2 Q12809 3/20 0.41
MAP4K4 O95819 1/20 0.41
PIK3CA P42336 1/20 0.41
MINK1 Q8N4C8 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
PSEN1 P49768 5/20 0.40
PSEN2 P49810 5/20 0.40
APH1B Q8WW43 5/20 0.40
NCSTN Q92542 5/20 0.40
APH1A Q96BI3 5/20 0.40

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
SCHEMBL244098 1.00 TRPV4 (0.52) TRPV4SLC40A1ALDH1A1HSD17B10TDP1
SCHEMBL31190599 0.84 ALDH1A1 (0.40) TRPV4SLC40A1ALDH1A1HSD17B10TDP1
SCHEMBL3701877 0.79 KDM4E (0.57) TRPV4SLC40A1ALDH1A1CYP2C9SLC22A6
SCHEMBL30845950 0.79 TRPV4 (0.52) TRPV4SLC40A1TDP1CYP2C9SLC22A6
SCHEMBL5077871 0.79 TRPV4 (0.52) TRPV4SLC40A1ALDH1A1CYP2C9SLC22A6
SCHEMBL18231250 0.79 KCNH2 (0.55) TRPV4SLC40A1CYP2C9SLC22A6SLC22A8
SCHEMBL2169084 0.79 TRPV4 (0.52) TRPV4SLC40A1TDP1CYP2C9SLC22A6
SCHEMBL5077872 0.78 KDM4E (0.55) TRPV4SLC40A1ALDH1A1CYP2C9SLC22A6
Hydrochloric Acid SCHEMBL29970288 0.78 TRPV4 (0.50) TRPV4SLC40A1TDP1CYP2C9SLC22A6
Hydrochloric Acid SCHEMBL27930121 0.78 KDM4E (0.55) TRPV4SLC40A1ALDH1A1CYP2C9SLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4482587-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF Biogen MA Inc. (US) 2025-01-01 EP disclosed
CN-119118894-A TRPV4 receptor ligands 犹他大学研究基金会 2024-12-13 CN disclosed
CN-118984824-A Cannabinoid receptor compounds and uses thereof 长春金赛药业有限责任公司 2024-11-19 CN disclosed
WO-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 WO disclosed
CN-109952289-B TRPV4 antagonists 葛兰素史密斯克莱知识产权(第2 号)有限公司 2022-12-09 CN disclosed
EP-4061124-A1 TRPV4 RECEPTOR LIGANDS University of Utah Research Foundation (US) 2022-09-28 EP disclosed
CN-115052478-A TRPV4 receptor ligands 犹他大学研究基金会 2022-09-13 CN disclosed