SCHEMBL28802124

SCHEMBL28802124

C=CCn1c2ccccc2c2cc(CO)nc(C)c21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 6/20 0.44
GAA P10253 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.40
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 1/20 0.39
LMNA P02545 2/20 0.39
HSP90AA1 P07900 1/20 0.38
TLR9 Q9NR96 1/20 0.38

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
SCHEMBL27917555 0.84 PTGER4 (0.46) PTGER4GAAKMT2AMEN1RXFP1
SCHEMBL27939722 0.81 CYP19A1 (0.50) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL27979711 0.81 ALDH1A1 (0.45) GAAKMT2AMEN1ALDH1A1MAPT
SCHEMBL27921223 0.80 PGR (0.47) ALDH1A1KDM4EHPGDLMNA
SCHEMBL27917602 0.79 ALKBH5 (0.45) GAAALDH1A1MAPTKDM4EHPGD
SCHEMBL27939731 0.77 SIGMAR1 (0.46) KMT2AMEN1ALDH1A1KDM4EHPGD
SCHEMBL28813937 0.75 KMT2A (0.53) GAAKMT2AMEN1RXFP1ALDH1A1
SCHEMBL27979690 0.75 MAPT (0.40) PTGER4KMT2AMEN1ALDH1A1MAPT
SCHEMBL146503 0.71 CYP1A2 (0.56) GAAKMT2AMEN1RXFP1ALDH1A1
SCHEMBL553110 0.68 ALDH1A1 (0.49) PTGER4GAAKMT2AMEN1RXFP1

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-103070862-A Application of harmine derivative in preparation of antibacterial drugs XINJIANG HUASHIDAN PHARMACEUTICAL RES CO LTD 2013-05-01 CN disclosed