SCHEMBL30302003

SCHEMBL30302003

O=C(O)c1cccn1CCN1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 2/20 0.51
CNR2 P34972 2/20 0.48
CNR1 P21554 1/20 0.48
LMNA P02545 1/20 0.48
CYP2C19 P33261 1/20 0.48
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
GLA P06280 1/20 0.45
HSP90AA1 P07900 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45

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
SCHEMBL6071297 0.88 CNR2 (0.48) ALDH1A1KMT2AMAPTCNR2CNR1
SCHEMBL12263292 0.77 CNR2 (0.48) ALDH1A1KMT2AMAPTCNR2CNR1
SCHEMBL1664496 0.76 LMNA (0.44) ALDH1A1KMT2AMAPTLMNAKDM4E
SCHEMBL25396613 0.75 EPHX2 (0.38) ALDH1A1KMT2AMAPTCNR2CNR1
SCHEMBL24435448 0.74 CNR1 (0.44) CNR2CNR1
SCHEMBL12263307 0.74 CNR2 (0.47) ALDH1A1KMT2AMAPTCNR2CNR1
SCHEMBL25394559 0.74 CNR1 (0.40) KMT2ACNR2CNR1
SCHEMBL6310590 0.74 CNR2 (0.62) ALDH1A1KMT2AMAPTCNR2CNR1
SCHEMBL16553513 0.73 PLD1 (0.49) ALDH1A1KMT2AMAPTCNR2CNR1
SCHEMBL5776620 0.73 MEN1 (0.42) ALDH1A1KMT2AMAPTCNR2LMNA

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 2 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-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