SCHEMBL29952663

SCHEMBL29952663

OB(O)c1cccnc1N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.47
POLB P06746 1/20 0.46
LRRK2 Q5S007 1/20 0.46
PIK3CA P42336 8/20 0.45
PIK3CD O00329 5/20 0.45
PIK3CG P48736 5/20 0.45
PTK2 Q05397 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
MTOR P42345 2/20 0.42
KMT2A Q03164 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42

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
SCHEMBL15743182 1.00 CYP1A2 (0.54) CYP1A2CYP2C9MAPK1POLBLRRK2
Hydrochloric Acid SCHEMBL29955109 0.98 CYP1A2 (0.52) CYP1A2CYP2C9MAPK1POLBLRRK2
SCHEMBL29953873 0.84 CYP1A2 (0.50) CYP1A2CYP2C9MAPK1KDM4EKMT2A
SCHEMBL15915410 0.84 CYP1A2 (0.50) CYP1A2CYP2C9MAPK1KDM4EKMT2A
Hydrochloric Acid SCHEMBL29957554 0.83 CYP1A2 (0.49) CYP1A2CYP2C9MAPK1KDM4ELMNA
SCHEMBL1519191 0.81 CHIA (0.52) CYP1A2
SCHEMBL2007033 0.80 ALDH1A1 (0.43) MAPK1PIK3CANPSR1KDM4ELMNA
SCHEMBL18342345 0.80 EPHX2 (0.56) KDM4E
SCHEMBL29953339 0.80 EPHX2 (0.56) KDM4E
SCHEMBL3436634 0.79 CYP1A2 (0.56) CYP1A2CYP2C9MAPK1POLBLRRK2

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
EP-4705291-A1 IKK-ALPHA INHIBITORS Cancer Research Technology Limited (GB) 2026-03-11 EP disclosed
WO-2024228035-A1 IKK-ALPHA INHIBITORS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2024-11-07 WO disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed