SCHEMBL9736258

SCHEMBL9736258

O=[N+]([O-])c1ccccc1N1C=CN(c2ccccc2F)C1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.42
HTT P42858 1/20 0.42
PMM2 O15305 1/20 0.41
MPI P34949 1/20 0.41
PHOSPHO1 Q8TCT1 1/20 0.41
PKM P14618 1/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.39
CTSB P07858 1/20 0.39
AR P10275 1/20 0.39
HSD11B1 P28845 1/20 0.39
GPR174 Q9BXC1 1/20 0.38

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
SCHEMBL9736266 0.79 ALDH1A1 (0.63) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL5828 0.72 TDP1 (0.56) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL12444133 0.72 TDP1 (0.56) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL29482305 0.72 TDP1 (0.56) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL17625895 0.72 KMT2A (0.47) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL7941772 0.72 KMT2A (0.49) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL8524494 0.71 KMT2A (0.42) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
Hydrogen Sulfide SCHEMBL28228918 0.70 TDP1 (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL28001936 0.70 TDP1 (0.54) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA
SCHEMBL3799173 0.70 CTSB (0.65) MAPTALDH1A1L3MBTL1SMN1; SMN2LMNA

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
US-5130430-A Anxiety, sleep disorders or seizures NEUROGEN CORPORATION (US) 1992-07-14 US disclosed