SCHEMBL29622995

SCHEMBL29622995

CCOC(=O)C(F)(F)C(=O)c1ccc(F)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2R P25116 1/20 0.40
MAPT P10636 6/20 0.40
POLB P06746 2/20 0.39
TSHR P16473 2/20 0.39
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FBP1 P09467 1/20 0.38
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.35
MAPK1 P28482 2/20 0.35
ALDH1A1 P00352 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HPGD P15428 1/20 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
SCHEMBL21858005 1.00 F2R (0.40) F2RMAPTPOLBTSHRKMT2A
SCHEMBL21857985 0.86 F2R (0.41) F2RMAPTPOLBTSHRKMT2A
SCHEMBL21767653 0.80 F2R (0.40) F2RMAPTPOLBTSHRKMT2A
SCHEMBL31072018 0.80 F2R (0.40) F2RMAPTPOLBTSHRKMT2A
SCHEMBL5777608 0.79 TSHR (0.55) F2RMAPTPOLBTSHRKMT2A
SCHEMBL25757435 0.79 F2R (0.39) F2RMAPTKMT2APKMSMN1; SMN2
SCHEMBL21858009 0.78 MAPT (0.42) MAPTPOLBTSHRKMT2AMEN1
SCHEMBL29622873 0.78 MAPT (0.42) MAPTPOLBTSHRKMT2AMEN1
SCHEMBL21857999 0.76 F2R (0.41) F2RMAPTPOLBTSHRKMT2A
SCHEMBL21857875 0.76 FBP1 (0.39) MAPTPOLBTSHRKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115485262-B Hypoxia inducible factor-2 (alpha) inhibitors and their use in the treatment of disease 霖康疗法公司 2025-04-04 CN disclosed
CN-118993938-A Tetrahydro-1H-cyclopenta [ CD ] indene derivatives as hypoxia inducible factor-2 (alpha) inhibitors 尼坎治疗公司 2024-11-22 CN disclosed
CN-118993939-A Tetrahydro-1H-cyclopenta [ CD ] indene derivatives as hypoxia inducible factor-2 (alpha) inhibitors 尼坎治疗公司 2024-11-22 CN disclosed
CN-113874350-B Tetrahydro-1H-cyclopenta [ CD ] indene derivatives as hypoxia inducible factor-2 (alpha) inhibitors 尼坎治疗公司 2024-08-06 CN disclosed
CN-116507601-A Process for preparing 3-fluoro-5- (((1S, 2 aR) -1,3, 4-pentafluoro-2 a-hydroxy-2, 2a,3, 4-tetrahydro-1H-cyclopenta [ cd ] inden-7-yl) oxy) benzonitrile 尼坎治疗公司 2023-07-28 CN disclosed
WO-2023070483-A1 PROCESSES OF MAKING 3-FLUORO-5- ( ( (1R, 2S, 2aS) -1, 2, 3, 3, 4, 4-HEXAFLUORO-2A-HYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) -OXY) -BENZONITRILE AND POLYMORPHS THEREOF NIKANG THERAPEUTICS, INC. (US) 2023-05-04 WO disclosed
CN-115485262-A Hypoxia inducible factor-2 (alpha) inhibitors and their use in the treatment of disease 尼坎治疗公司 2022-12-16 CN disclosed
WO-2022082337-A1 PROCESS OF PREPARING 3-FLUORO-5 ( ( (1R, 2AR) -3, 3, 4, 4-TETRAFLUORO-1, 2A-DIHYDROXY-2, 2A, 3, 4-TETRAHYDRO-1H-CYCLOPENTA [CD] INDEN-7-YL) OXY) BENZONITRILE NIKANG THERAPEUTICS, INC. (US) 2022-04-28 WO disclosed