SCHEMBL9469352

SCHEMBL9469352

O=[N+]([O-])c1ccccc1SC1CN2CCC1CC2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
PKM P14618 1/20 0.45
KDM4A O75164 1/20 0.45
TDP2 O95551 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
APOBEC3G Q9HC16 1/20 0.45
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PDE7A Q13946 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CHRNA7 P36544 1/20 0.39
CRBN Q96SW2 1/20 0.38
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.37
FABP4 P15090 1/20 0.37

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
SCHEMBL9469825 0.75 CHRNA7 (0.41) MAPTALDH1A1KMT2AMEN1APOBEC3G
SCHEMBL875286 0.74 MAPT (0.57) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL9469499 0.71 DDB1 (0.43) MAPTKMT2AMEN1NPSR1CHRNA7
SCHEMBL8328341 0.71 MAPT (0.56) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL5262117 0.71 MAPT (0.62) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL3217634 0.71 CHRNA7 (0.50) CHRNA7
SCHEMBL3217644 0.71 CHRNA7 (0.50) CHRNA7
SCHEMBL6759187 0.70 MAPT (0.65) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL31315669 0.70 MAPT (0.65) MAPTALDH1A1KMT2AMEN1PKM
SCHEMBL9469015 0.69 MEN1 (0.47) ALDH1A1KMT2AMEN1TDP1CHRNA7

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
US-5258392-A 3-quinuclidine derivatives AKZO N.V. (NL) 1993-11-02 US disclosed
EP-0497415-A1 3-Quinuclidine derivatives Akzo Nobel N.V. (NL) 1992-08-05 EP disclosed