SCHEMBL28404646

SCHEMBL28404646

CCN1CCN(c2ccc(Nc3ccc[nH]3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
OPRM1 P35372 1/20 0.45
OPRD1 P41143 1/20 0.45
MAPK1 P28482 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 10/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
POLB P06746 1/20 0.41
SIRT6 Q8N6T7 1/20 0.41
KMT2A Q03164 2/20 0.40
HTR6 P50406 3/20 0.40
TP53 P04637 1/20 0.40
MEN1 O00255 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL28404604 0.81 RAD52 (0.50) MAPTSMN1; SMN2
SCHEMBL21761895 0.81 MAPT (0.59) LMNAOPRM1OPRD1MAPK1L3MBTL1
SCHEMBL16654009 0.77 TP53 (0.55) MAPK1L3MBTL1MAPTALDH1A1SIRT6
SCHEMBL16655629 0.75 MAPT (0.45) LMNAOPRM1OPRD1MAPK1L3MBTL1
SCHEMBL2927491 0.74 GAA (0.55) LMNAOPRM1OPRD1MAPK1L3MBTL1
SCHEMBL28610614 0.73 LMNA (0.42) LMNAOPRM1OPRD1MAPK1L3MBTL1
SCHEMBL13548708 0.73 MAPT (0.74) MAPK1L3MBTL1MAPTALDH1A1CYP1A2
SCHEMBL4723486 0.73 L3MBTL1 (0.51) LMNAOPRM1OPRD1MAPK1L3MBTL1
SCHEMBL22652221 0.73 L3MBTL1 (0.51) LMNAOPRM1OPRD1MAPK1L3MBTL1
SCHEMBL16654429 0.73 GAA (0.61) LMNAOPRM1OPRD1MAPK1L3MBTL1

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-111278823-B Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2023-01-24 CN disclosed
CN-111278823-A Heterocyclic compounds as fibroblast growth factor receptor inhibitors 上海新契博生物科技有限公司 2020-06-12 CN disclosed