SCHEMBL29416744

SCHEMBL29416744

N#Cc1ccc(O)c(F)c1F

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 8/20 0.44
ESR2 Q92731 8/20 0.44
AR P10275 4/20 0.43
TRPV4 Q9HBA0 1/20 0.39
UPP1 Q16831 1/20 0.38
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
SNCA P37840 1/20 0.36
CYP19A1 P11511 1/20 0.36
PGR P06401 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
EGLN2 Q96KS0 2/20 0.35

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
SCHEMBL1128771 1.00 ESR1 (0.44) ESR1ESR2ARTRPV4UPP1
SCHEMBL6651902 0.84 TRPV4 (0.48) ARTRPV4UPP1MAOAMAOB
SCHEMBL8811100 0.82 ESR1 (0.42) ESR1ESR2ARTRPV4UPP1
SCHEMBL1312049 0.80 ESR1 (0.37) ESR1ESR2ARTRPV4UPP1
SCHEMBL30840298 0.80 ESR1 (0.44) ESR1ESR2ARTRPV4UPP1
SCHEMBL23835342 0.80 ESR1 (0.44) ESR1ESR2ARTRPV4UPP1
SCHEMBL1578639 0.79 AR (0.42) ESR1ESR2ARPGR
SCHEMBL14920227 0.76 TRPV4 (0.43) ESR1ESR2ARTRPV4UPP1
SCHEMBL29987655 0.76 PIM1 (0.41) ESR1ESR2AR
SCHEMBL1512796 0.76 PIM1 (0.41) ESR1ESR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120081885-A Substituted phenyl glycoside compound and preparation method and application thereof 浙江大学 2025-06-03 CN claimed
CN-120081885-A Substituted phenyl glycoside compound and preparation method and application thereof 浙江大学 2025-06-03 CN disclosed
CN-114466849-B N-substituted-3, 4- (fused 5-ring) -5-phenyl-pyrrolidin-2-one compounds as ISOQC and/or inhibitors of QC enzymes 欣尼克免疫有限公司 2024-07-12 CN disclosed
CN-118307534-A LTA4H inhibitors and uses thereof 上海海雁医药科技有限公司 2024-07-09 CN disclosed
CN-118159530-A Compounds for the treatment of pain, in particular neuropathic pain and/or other diseases or disorders associated with AT2R and/or AT2R mediated signalling 康福治疗有限公司 2024-06-07 CN disclosed
CN-112424181-B Substituted condensed thiophenes as STING modulators 希泰克斯特私人有限公司 2024-02-27 CN disclosed
CN-117529476-A Preparation of substituted 1, 2-diamino heterocyclic derivatives and their use as medicaments 亚飞络思制药公司 2024-02-06 CN disclosed
CN-114466849-A N-substituted-3, 4- (fused 5-ring) -5-phenyl-pyrrolidin-2-one compounds as inhibitors of ISOQC and/or QC enzymes 欣尼克免疫有限公司 2022-05-10 CN disclosed
CN-108218849-B Novel inhibitors 维沃永治疗公众有限公司 2022-03-01 CN disclosed