SCHEMBL30302005

SCHEMBL30302005

O=C(O)c1cccn1CC1CC1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 6/20 0.44
PPARG P37231 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX12 P18054 1/20 0.40
RECQL P46063 1/20 0.40
GRM2 Q14416 3/20 0.39
NOTUM Q6P988 1/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL25393523 0.93 EPHX2 (0.48) EPHX2PPARGKMT2AMEN1ALDH1A1
SCHEMBL25393273 0.92 EPHX2 (0.50) EPHX2KMT2AMEN1ALDH1A1TDP1
SCHEMBL24435448 0.89 CNR1 (0.44) EPHX2
SCHEMBL28702300 0.88 CACNA2D1 (0.45) EPHX2KMT2AMEN1
SCHEMBL25395413 0.86 EPHX2 (0.41) EPHX2PPARGGRM2
SCHEMBL28700042 0.85 FEN1 (0.43) EPHX2
SCHEMBL25392115 0.85 EPHX2 (0.39) EPHX2PPARGKMT2AMEN1ALDH1A1
SCHEMBL25393933 0.83 CNR1 (0.46) EPHX2PPARG
SCHEMBL25393757 0.82 EPHX2 (0.42) EPHX2PPARGKMT2AMEN1ALDH1A1
SCHEMBL25394598 0.81 EPHX2 (0.40) EPHX2PPARG

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
CN-115925606-A 5- (3- (sulfonamido) phenyl) -1H-pyrrole-2-carboxylic acid derivative and preparation method and application thereof 宁夏医科大学 2023-04-07 CN claimed
CN-115925606-B 5- (3- (sulfonamide) phenyl) -1H-pyrrole-2-carboxylic acid derivative and preparation method and application thereof 宁夏医科大学 2023-10-13 CN disclosed
CN-115925606-A 5- (3- (sulfonamido) phenyl) -1H-pyrrole-2-carboxylic acid derivative and preparation method and application thereof 宁夏医科大学 2023-04-07 CN disclosed