SCHEMBL11096860

SCHEMBL11096860

COC(=O)Oc1nnn(-c2ccc(OC)cc2)c1N

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.55
TP53 P04637 1/20 0.49
MAPK14 Q16539 1/20 0.46
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
MAPKAPK2 P49137 1/20 0.43
ALDH1A1 P00352 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL11038855 0.87 TP53 (0.63) SMN1; SMN2TP53POLBALDH1A1LMNA
SCHEMBL11044738 0.86 TP53 (0.49) SMN1; SMN2TP53ALDH1A1
SCHEMBL11095871 0.85 TP53 (0.54) SMN1; SMN2TP53KDM4EALDH1A1NPSR1
SCHEMBL11041232 0.82 KMT2A (0.49) SMN1; SMN2TP53KDM4EALDH1A1L3MBTL1
SCHEMBL11040213 0.81 IDO1 (0.43) SMN1; SMN2TP53ALDH1A1CYP1A2CYP3A4
SCHEMBL11044671 0.80 POLB (0.49) SMN1; SMN2TP53POLBALDH1A1L3MBTL1
SCHEMBL11047507 0.79 MAPT (0.43) SMN1; SMN2TP53POLBALDH1A1CYP1A2
SCHEMBL10983009 0.78 SMN1; SMN2 (0.76) SMN1; SMN2TP53KDM4EPOLBALDH1A1
SCHEMBL22737578 0.76 SMN1; SMN2 (0.62) SMN1; SMN2TP53MAPK14KDM4EALDH1A1
SCHEMBL11042738 0.73 SMN1; SMN2 (0.49) SMN1; SMN2TP53KDM4EALDH1A1L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073931-B1 ANILINO-1,2,3-TRIAZOLE DERIVATIVES, MEDICAMENTS CONTAINING THEM, PROCESS FOR PREPARING THEM, AND THEIR USE BOEHRINGER INGELHEIM KG (DE) 1985-02-13 EP disclosed
EP-0073931-A1 Anilino-1,2,3-triazole derivatives, medicaments containing them, process for preparing them, and their use BOEHRINGER INGELHEIM KG (DE) 1983-03-16 EP disclosed