SCHEMBL9523745

SCHEMBL9523745

O=C(c1ccc([N+](=O)[O-])cc1)N1CC2[CH]C(CN(Cc3ccccc3)C2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.57
ALDH1A1 P00352 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 2/20 0.56
MAPT P10636 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
KDM4E B2RXH2 2/20 0.52
NPC1 O15118 1/20 0.51
GALR3 O60755 1/20 0.51
RAB9A P51151 1/20 0.51
CHRM2 P08172 1/20 0.51
CHRM3 P20309 1/20 0.51
PKM P14618 1/20 0.50
KMT2A Q03164 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
ACHE P22303 1/20 0.48
BLM P54132 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL10409277 0.86 HTT (0.57) HTTALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL10410783 0.85 HTT (0.56) HTTALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL9522199 0.84 KDM4E (0.50) ALDH1A1LMNAKDM4E
SCHEMBL9521748 0.83 KDM4E (0.49) ALDH1A1SMN1; SMN2LMNAKDM4ECHRM2
SCHEMBL10409322 0.80 HTT (0.50) HTTALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL10409271 0.75 ALDH1A1 (0.60) HTTALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL17953046 0.73 KDM4E (0.61) ALDH1A1SMN1; SMN2LMNAKDM4ECHRM2
SCHEMBL17055124 0.72 CA1 (0.56) HTTALDH1A1SMN1; SMN2LMNATDP1
SCHEMBL17444701 0.72 KCNH2 (0.73) HTTALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL8551099 0.72 MAPT (0.66) ALDH1A1SMN1; SMN2LMNAMAPTTDP1

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
EP-0308843-B1 Bispidin derivatives as class III antiarrhythmics BASF AG (DE) 1993-12-15 EP disclosed
EP-0308843-A2 Bispidin derivatives as class III antiarrhythmics BASF Aktiengesellschaft (DE) 1989-03-29 EP disclosed