SCHEMBL29906554

SCHEMBL29906554

N#Cc1c(F)ccc(N)c1F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.37
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 5/20 0.33
ADORA1 P30542 5/20 0.33
GAA P10253 1/20 0.33
GFER P55789 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
LMNA P02545 1/20 0.32
CUL4A Q13619 1/20 0.32
EEF2K O00418 1/20 0.31
MDM4 O15151 1/20 0.31
KDM1A O60341 1/20 0.30
ADORA2B P29275 1/20 0.30
DYRK1A Q13627 1/20 0.30
LRRK2 Q5S007 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
SCHEMBL2597730 1.00 TRPV4 (0.37) TRPV4ALDH1A1ADORA2AADORA1GAA
SCHEMBL29196717 0.82 TRPV4 (0.37) TRPV4ALDH1A1ADORA2AADORA1GAA
SCHEMBL186689 0.80 TRPV4 (0.42) TRPV4ALDH1A1ADORA2AADORA1GAA
SCHEMBL29723241 0.78 TRPV4 (0.34) TRPV4ALDH1A1ADORA2AADORA1GAA
SCHEMBL26928026 0.78 TRPV4 (0.34) TRPV4ALDH1A1ADORA2AADORA1GAA
SCHEMBL24663165 0.78 TRPV4 (0.34) TRPV4ALDH1A1ADORA2AADORA1GAA
SCHEMBL22288637 0.78 TDP1 (0.32) TRPV4ALDH1A1ADORA2AADORA1HSD17B10
SCHEMBL29424964 0.78 TDP1 (0.32) TRPV4ALDH1A1ADORA2AADORA1HSD17B10
SCHEMBL21047194 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL29682937 0.77 ALDH1A1 (0.34) ALDH1A1

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
WO-2025215121-A1 HEDGEHOG ACYLTRANSFERASE INHIBITORS IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2025-10-16 WO disclosed
CN-120025321-A Furan ring-containing compound, pharmaceutical composition and application thereof 武汉熙瑞医药科技有限公司 2025-05-23 CN disclosed
CN-119899188-A METTL3 inhibitors 杭州邦顺制药有限公司 2025-04-29 CN disclosed
CN-116120287-B Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2025-01-28 CN disclosed
CN-116601131-A CTPS1 inhibitor and application thereof 林伯士克洛索有限公司 2023-08-15 CN disclosed
CN-116120287-A Heteroaromatic carboxamide derivatives as inhibitors of plasma kallikrein 勃林格殷格翰国际有限公司 2023-05-16 CN disclosed
CN-115052873-A Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors 勃林格殷格翰国际有限公司 2022-09-13 CN disclosed