SCHEMBL9255403

SCHEMBL9255403

C#CCn1nnc(-c2cnc3c(C)cccn3c2=O)n1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.38
TP53 P04637 3/20 0.38
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 1/20 0.33
RECQL P46063 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NPC1 O15118 1/20 0.32
QPCT Q16769 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL9255747 0.86 TP53 (0.40) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9210655 0.84 TP53 (0.39) MAPTTP53LMNANPSR1KDM4E
Hydrochloric Acid SCHEMBL9219227 0.83 TP53 (0.39) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9256673 0.83 TP53 (0.39) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9213292 0.83 MAPT (0.38) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9215578 0.82 MAPT (0.37) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9259987 0.81 TP53 (0.50) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9260614 0.80 MAPT (0.40) MAPTTP53LMNANPSR1KDM4E
SCHEMBL9262148 0.80 LMNA (0.44) MAPTTP53LMNAHDAC8NPC1
SCHEMBL9255151 0.79 TP53 (0.40) MAPTTP53LMNAKDM4EHDAC8

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-5475000-A Antiulcer agents CHINOIN GYOGYSZER-ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-12-12 US disclosed