SCHEMBL11047507

SCHEMBL11047507

COC(=O)Oc1nnn(-c2ccc(C)c(Cl)c2)c1N

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
GAA P10253 3/20 0.43
TP53 P04637 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 4/20 0.41
STAT1 P42224 1/20 0.41
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL11040213 0.90 IDO1 (0.43) MAPTSMN1; SMN2GAATP53ALDH1A1
SCHEMBL11041382 0.84 TP53 (0.49) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL11044671 0.82 POLB (0.49) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL10981872 0.81 GAA (0.66) MAPTSMN1; SMN2GAATP53POLB
SCHEMBL11038855 0.79 TP53 (0.63) SMN1; SMN2GAATP53POLBALDH1A1
SCHEMBL11039631 0.79 TP53 (0.49) MAPTSMN1; SMN2GAATP53NPC1
SCHEMBL11044738 0.79 TP53 (0.49) SMN1; SMN2GAATP53ALDH1A1TSHR
SCHEMBL11096860 0.79 SMN1; SMN2 (0.55) SMN1; SMN2TP53POLBALDH1A1MAPK1
SCHEMBL11095871 0.78 TP53 (0.54) SMN1; SMN2GAATP53ALDH1A1KMT2A
SCHEMBL11041232 0.75 KMT2A (0.49) MAPTSMN1; SMN2TP53ALDH1A1KMT2A

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