SCHEMBL9537593

SCHEMBL9537593

Cc1cc(O)cc2c1N(C)C1N(C)CC[C@@]21C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.60
TP53 P04637 2/20 0.60
ALOX15 P16050 2/20 0.60
MAPT P10636 2/20 0.60
MTOR P42345 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
HIF1A Q16665 1/20 0.60
HSD17B10 Q99714 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
FTO Q9C0B1 1/20 0.60
G6PD P11413 1/20 0.51
GMNN O75496 1/20 0.51
ALDH1A1 P00352 1/20 0.51
LMNA P02545 1/20 0.51

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
SCHEMBL9537590 1.00 KDM4E (0.60) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL9536827 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL2456789 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL2460003 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL8863755 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL8863750 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL2456790 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL2460000 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL9371638 0.84 KDM4E (0.59) KDM4ETP53ALOX15MAPTMTOR
SCHEMBL9537992 0.82 KDM4E (0.56) KDM4ETP53ALOX15MAPTMTOR

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-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed