SCHEMBL9736208

SCHEMBL9736208

O=C1CCC(C(=O)N2CCN(Cc3ccc4c(c3)OCO4)CC2)N1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.62
LMNA P02545 3/20 0.59
KMT2A Q03164 5/20 0.58
TSHR P16473 2/20 0.58
MEN1 O00255 4/20 0.57
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 2/20 0.54
HTT P42858 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
GAA P10253 1/20 0.54
FABP1 P07148 1/20 0.53
FABP6 P51161 1/20 0.53

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
SCHEMBL9735532 0.81 PARP1 (0.49) KMT2AALDH1A1KDM4EHTT
SCHEMBL15692575 0.80 KMT2A (0.70) SMN1; SMN2LMNAKMT2ATSHRMEN1
SCHEMBL8824257 0.80 L3MBTL1 (0.62) SMN1; SMN2LMNATSHRALDH1A1KDM4E
SCHEMBL9735095 0.80 PARP1 (0.51)
SCHEMBL9734496 0.79 KMT2A (0.53) SMN1; SMN2LMNAKMT2ATSHRMEN1
SCHEMBL27663681 0.78 ALDH1A1 (0.70) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL9735099 0.77 POLB (0.53) SMN1; SMN2LMNAKMT2AALDH1A1KDM4E
SCHEMBL8916375 0.77 KMT2A (0.72) SMN1; SMN2LMNAKMT2ATSHRMEN1
SCHEMBL2853078 0.76 KMT2A (0.70) LMNAKMT2ATSHRMEN1ALDH1A1
SCHEMBL8917314 0.76 KMT2A (0.74) SMN1; SMN2LMNAKMT2ATSHRMEN1

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-5102882-A Nootropic agents NIPPON SHINYAKU CO., LTD. (JP) 1992-04-07 US disclosed