SCHEMBL30953903

SCHEMBL30953903

O=[N+]([O-])c1ccc(O)cc1N1CCOCC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.64
ALDH1A1 P00352 9/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
PKM P14618 1/20 0.61
CTSB P07858 1/20 0.57
CYP2C9 P11712 2/20 0.56
LMNA P02545 4/20 0.55
HPGD P15428 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPK1 P28482 3/20 0.52
TDP1 Q9NUW8 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL5824515 1.00 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL8324808 0.86 ALDH1A1 (0.69) MAPTALDH1A1SMN1; SMN2NPSR1CTSB
SCHEMBL14784645 0.82 ALDH1A1 (0.64) MAPTALDH1A1SMN1; SMN2CYP2C9LMNA
SCHEMBL7809569 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL3154116 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL30699269 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL3546064 0.82 LMNA (0.75) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL20166477 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL27038561 0.82 MAPT (0.64) MAPTALDH1A1SMN1; SMN2NPSR1PKM
SCHEMBL18113478 0.81 MAPT (0.61) MAPTALDH1A1SMN1; SMN2NPSR1PKM

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-2024128359-A1 PHARMACEUTICAL COMPOSITION FOR PREVENTION OR TREATMENT OF BONE DISEASES 전남대학교산학협력단 2024-06-20 WO disclosed