SCHEMBL7695705

SCHEMBL7695705

O=[N+]([O-])c1ccc2c(c1)N(C(Cl)(Cl)Cl)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK1 Q13464 1/20 0.51
▸ DRD2 P14416 1/20 0.47
▸ LMNA P02545 3/20 0.41
▸ MAPT P10636 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ PNMT P11086 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ CASP6 P55212 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ GAA P10253 1/20 0.40

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
SCHEMBL2447686 0.85 ROCK1 (0.51) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL2467491 0.79 ROCK1 (0.49) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL31110066 0.76 ROCK1 (0.51) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL2312739 0.76 ROCK1 (0.51) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL6653019 0.76 ROCK1 (0.54) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL27966687 0.76 ROCK1 (0.51) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL27872559 0.74 ROCK1 (0.49) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL27872558 0.74 DRD2 (0.57) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL23579413 0.74 ROCK1 (0.46) ROCK1DRD2LMNAMAPTALDH1A1
SCHEMBL29974269 0.74 ROCK1 (0.46) ROCK1DRD2LMNAMAPTALDH1A1

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-6403588-B1 PHOSPHATIDYLINOSITOL 3 KINASE (PI3K) INHIBITING ACTIVITY WHICH ARE USEFUL AS MEDICAMENTS, MORE PARTICULARLY AS ANTITUMOR AGENT YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2002-06-11 — — US disclosed
Send feedback