SCHEMBL30135522

SCHEMBL30135522

O=[N+]([O-])c1ccc(N2CCCC(Cl)C2)cc1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.61
ALDH1A1 P00352 2/20 0.58
MAPK1 P28482 1/20 0.58
LMNA P02545 2/20 0.52
SIRT6 Q8N6T7 2/20 0.50
POLB P06746 2/20 0.50
ADRB1 P08588 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
CTSL P07711 1/20 0.47
CTSB P07858 1/20 0.47
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL6610334 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL4003076 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL4003069 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL9983992 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL16651521 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL2018527 0.82 MAPT (0.61) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL521266 0.81 MAPT (0.68) MAPTALDH1A1MAPK1LMNAPOLB
SCHEMBL12005041 0.80 MAPT (0.67) MAPTALDH1A1MAPK1LMNAPOLB
SCHEMBL4714774 0.78 MAPT (0.58) MAPTALDH1A1MAPK1LMNASIRT6
SCHEMBL6716274 0.78 MAPT (0.56) MAPTALDH1A1MAPK1LMNASIRT6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022216098-A1 NOVEL LRRK2 INHIBITOR 주식회사 스탠다임 2022-10-13 WO disclosed