SCHEMBL9521748

SCHEMBL9521748

Nc1ccc(C(=O)N2CC3[CH]C(CN(Cc4ccccc4)C3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CA12 O43570 1/20 0.48
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SIGMAR1 Q99720 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM3 P20309 1/20 0.46
LMNA P02545 2/20 0.45
S1PR5 Q9H228 1/20 0.45
MAPK1 P28482 2/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
PKM P14618 1/20 0.44

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
SCHEMBL9522199 0.88 KDM4E (0.50) KDM4EALDH1A1LMNA
Ambasilide SCHEMBL427931 0.85 HSD11B1 (0.53) KDM4EALDH1A1CA12CA1CA2
Ambasilide SCHEMBL246531 0.85 HSD11B1 (0.53) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10409279 0.84 GRIN2B (0.49) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9523745 0.83 HTT (0.57) KDM4EALDH1A1KMT2ASIGMAR1CHRM2
SCHEMBL4516322 0.80 KDM4E (0.76) KDM4EALDH1A1CA12CA1CA2
SCHEMBL10410788 0.78 KDM4E (0.45) KDM4EALDH1A1CA12CA1CA2
SCHEMBL17953046 0.76 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2ASIGMAR1
SCHEMBL19562173 0.75 KDM4E (0.68) KDM4EALDH1A1CA12CA1CA2
SCHEMBL9521802 0.74 SIGMAR1 (0.50) SIGMAR1

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