SCHEMBL27435847

SCHEMBL27435847

CC(=O)Nc1cc2c(C)ccc(N3CCN(Cc4ccccc4)CC3)c2oc1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SRPK1 Q96SB4 3/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.49
BACE1 P56817 6/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
NPY2R P49146 1/20 0.46
TSHR P16473 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL9229909 0.82 KMT2A (0.48) SRPK1ALDH1A1BACE1MEN1KMT2A
SCHEMBL27434832 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EBACE1LMNA
SCHEMBL7540788 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2ANPY2R
SCHEMBL9229213 0.72 KMT2A (0.57) ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL9228397 0.72 DRD2 (0.53) BACE1
SCHEMBL27412494 0.70 BACE1 (0.54) ALDH1A1BACE1LMNA
SCHEMBL9227350 0.69 DRD2 (0.50) BACE1
SCHEMBL9230355 0.69 KDM4E (0.61) ALDH1A1KDM4EBACE1LMNA
SCHEMBL9230826 0.69 DRD2 (0.55) BACE1KMT2A
SCHEMBL27436549 0.69 ALDH1A1 (0.48) ALDH1A1KDM4EBACE1MEN1KMT2A

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
CN-1105360-A 1-[2H-1-benzopyran-2-one-8yl]-piperazin derivative DUPHAR INT RES (NL) 1995-07-19 CN disclosed