SCHEMBL30979384

SCHEMBL30979384

CN(C)Cc1ccc(NC(=C2C(=O)Nc3ccccc32)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
TDO2 P48775 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
KDR P35968 1/20 0.39
LRRK2 Q5S007 1/20 0.39
LSS P48449 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TSPO P30536 1/20 0.38
ROCK2 O75116 3/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL6323528 1.00 IDO1 (0.40) IDO1TDO2TDP1KDRLRRK2
SCHEMBL6323531 1.00 IDO1 (0.40) IDO1TDO2TDP1KDRLRRK2
SCHEMBL6326854 0.92 MAPT (0.41) IDO1TDO2TDP1KDRLSS
SCHEMBL6326859 0.92 MAPT (0.41) IDO1TDO2TDP1KDRLSS
SCHEMBL6327539 0.91 LSS (0.48) IDO1TDO2TDP1KDRLSS
SCHEMBL6327035 0.91 LSS (0.48) IDO1TDO2TDP1KDRLSS
SCHEMBL6322253 0.90 KMT2A (0.40) IDO1TDO2TDP1LRRK2ROCK2
SCHEMBL6322247 0.90 KMT2A (0.40) IDO1TDO2TDP1LRRK2ROCK2
SCHEMBL6325570 0.90 TDP1 (0.56) IDO1TDO2TDP1LRRK2BCHE
SCHEMBL6325573 0.90 TDP1 (0.56) IDO1TDO2TDP1LRRK2BCHE

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
EP-4622986-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS Elima Therapeutics, Inc. (US) 2025-10-01 EP disclosed
WO-2024112705-A1 BORONIC ACID AND BORONATE COMPOSITIONS AND METHODS ELIMA THERAPEUTICS, INC. (US) 2024-05-30 WO disclosed