SCHEMBL9302474

SCHEMBL9302474

COc1ccc(C(CCCN2CCN(CC(O)COc3ccccc3)CC2)c2ccc(OC)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.64
MAPK1 P28482 1/20 0.64
KDM4E B2RXH2 3/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
DRD4 P21917 1/20 0.57
TP53 P04637 1/20 0.56
GLA P06280 1/20 0.56
ALDH1A1 P00352 2/20 0.56
MAPT P10636 3/20 0.55
LMNA P02545 1/20 0.55
CYP2D6 P10635 3/20 0.55
TSHR P16473 1/20 0.55
HIF1A Q16665 1/20 0.55

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
SCHEMBL9303300 0.91 L3MBTL1 (0.70) L3MBTL1KDM4EMEN1KMT2ADRD4
SCHEMBL10379764 0.88 L3MBTL1 (0.62) L3MBTL1KDM4EMEN1KMT2AALDH1A1
SCHEMBL9302315 0.86 KDM4E (0.51) L3MBTL1MAPK1KDM4EPOLBMEN1
SCHEMBL9193205 0.85 L3MBTL1 (0.59) L3MBTL1KDM4EMEN1KMT2AGLA
SCHEMBL9187274 0.85 MAPT (0.60) L3MBTL1KDM4EMEN1KMT2AGLA
SCHEMBL9192429 0.85 KCNH2 (0.64) L3MBTL1MAPK1KDM4EKMT2ADRD4
SCHEMBL9302848 0.83 L3MBTL1 (0.74) L3MBTL1KDM4EMEN1KMT2ADRD4
SCHEMBL9301602 0.83 TSHR (0.64) KDM4EMEN1KMT2AGLAMAPT
SCHEMBL9300891 0.83 TSHR (0.64) KDM4EMEN1KMT2AGLAMAPT
SCHEMBL9301397 0.82 MAPT (0.57) L3MBTL1KDM4EMEN1KMT2AGLA

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-5342839-A Useful for therapy of oxygen deficiency diseases of the brain BASF AKTIENGESELLSCHAFT (DE) 1994-08-30 US disclosed