SCHEMBL9256015

SCHEMBL9256015

Cc1cccn2c(=O)c(-c3nnnn3C(C)c3ccccc3)cnc12

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TP53 P04637 4/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
NPC1 O15118 1/20 0.36
LMNA P02545 1/20 0.35
ROCK2 O75116 1/20 0.35
BRD4 O60885 1/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 2/20 0.33
RECQL P46063 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SSTR4 P31391 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL9261024 0.88 MAPT (0.39) MAPTTP53HDAC8NPC1LMNA
SCHEMBL356833 0.79 MAPT (0.41) MAPTTP53HDAC8NPC1LMNA
SCHEMBL9253888 0.78 MAPT (0.39) MAPTTP53SMN1; SMN2HDAC8NPC1
SCHEMBL9255701 0.76 MAPT (0.38) MAPTTP53HDAC8LMNAALDH1A1
SCHEMBL9259561 0.76 MAPT (0.41) MAPTTP53SMN1; SMN2HDAC8NPC1
SCHEMBL9259929 0.75 TP53 (0.39) MAPTTP53SMN1; SMN2LMNAALDH1A1
SCHEMBL9256075 0.75 MAPT (0.39) MAPTTP53SMN1; SMN2HDAC8NPC1
SCHEMBL9259671 0.74 ALDH1A1 (0.40) MAPTTP53LMNAALDH1A1KDM4E
SCHEMBL18558870 0.74 TP53 (0.40) MAPTTP53SMN1; SMN2HDAC8LMNA
SCHEMBL9255925 0.72 MAPT (0.39) MAPTTP53HDAC8NPC1LMNA

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 3 patents. 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
EP-0641340-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO- 1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN Gyogyszer és Vegyészeti Termékek Gyára RT. (HU) 1995-03-08 EP disclosed
WO-1993004065-A1 NEW 3-(SUBSTITUTED TETRAZOLYL)-4-OXO-4H-PYRIDO-[1,2-a]PYRIMIDINES, SALTS THEREOF, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR PREPARING SAME CHINOIN GYÓGYSZER- ÉS VEGYÉSZETI TERMÉKEK GYÁRA RT. (HU) 1993-03-04 WO disclosed