SCHEMBL8336552

SCHEMBL8336552

c1nc(N2CCOCC2)c[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C19 P33261 1/20 0.41
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ PAK1 Q13153 1/20 0.40
▸ KMO O15229 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ ALDH1A1 P00352 4/20 0.39
▸ HTT P42858 3/20 0.39
▸ HPGD P15428 2/20 0.39
▸ CYP1A2 P05177 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ PIK3CA P42336 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL15552038 0.81 CASP1 (0.38) MAPK1ALDH1A1HTTHPGDCYP1A2
SCHEMBL6577700 0.79 HRH4 (0.39) MAPK1ALDH1A1HTTHPGDCYP1A2
SCHEMBL5548801 0.78 HRH4 (0.44) ALDH1A1HTTCYP1A2KDM4EHRH4
SCHEMBL7289520 0.78 PLD1 (0.48) CYP2C19KMT2AMEN1MAPK1ALDH1A1
SCHEMBL24766035 0.72 MAPT (0.43) CYP2C19KMT2AMEN1MAPK1POLB
SCHEMBL541066 0.72 MAPT (0.49) KMT2AMEN1MAPK1ALDH1A1HTT
SCHEMBL8333832 0.71 PLD1 (0.59) CYP2C19KMT2AMEN1MAPK1POLB
SCHEMBL31110333 0.68 CYP2C19 (0.68) CYP2C19KMOALDH1A1HTTSMN1; SMN2
SCHEMBL2821690 0.68 CYP2C19 (0.41) CYP2C19KMT2AMEN1KMOPOLB
SCHEMBL18107305 0.68 CYP2C19 (0.45) CYP2C19KMT2AMEN1KMOALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106608863-A Preparation method of landiolol hydrochloride 北京创立科创医药技术开发有限公司 2017-05-03 — — CN claimed
WO-1999009845-A1 IMIDAZOQUINOXALINE PROTEIN TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-04 — — WO claimed
WO-2025133915-A1 COMPOUNDS WHICH BIND TO PNPLA3I148M AND THEIR USE TO TREAT LIVER DISEASES NOVARTIS AG (CH) 2025-06-26 — — WO disclosed
CN-106608863-A Preparation method of landiolol hydrochloride 北京创立科创医药技术开发有限公司 2017-05-03 — — CN disclosed
Send feedback