SCHEMBL6606591

SCHEMBL6606591

COc1ccc(N2CCN(c3ccccc3C(F)(F)F)CC2)c([N+](=O)[O-])c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 14/20 0.61
ALDH1A1 P00352 11/20 0.61
RECQL P46063 1/20 0.57
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPK1 P28482 4/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53
HSP90AA1 P07900 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
KMT2A Q03164 3/20 0.53
MEN1 O00255 2/20 0.53
PKM P14618 1/20 0.53
KCNH2 Q12809 1/20 0.53
GFER P55789 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
CCR6 P51684 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL5323662 0.80 MAPT (0.67) MAPTALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL4435949 0.79 MAPT (0.63) MAPTALDH1A1RECQLHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL5326598 0.79 MAPT (0.66) MAPTALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL5483633 0.79 MAPT (0.65) MAPTALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL31557643 0.76 CYP24A1 (0.49) MAPTALDH1A1SMN1; SMN2MAPK1GAA
SCHEMBL12643176 0.76 MAPT (0.74) MAPTALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL14376967 0.76 MAPT (0.62) MAPTALDH1A1RECQLHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL15819898 0.75 MAPT (0.61) MAPTALDH1A1RECQLHTTSMN1; SMN2
SCHEMBL9385318 0.75 ALDH1A1 (0.51) MAPTALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL29559830 0.75 ALDH1A1 (0.51) MAPTALDH1A1HTTSMN1; SMN2MAPK1

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
EP-1218352-B1 BENZIMIDAZOLONE DERIVATIVES HAVING MIXED SEROTONINE AND DOPAMINE RECEPTORS AFFINITY BOEHRINGER INGELHEIM ITALIA (IT) 2004-05-12 EP disclosed