SCHEMBL11041382

SCHEMBL11041382

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.49
PTGS2 P35354 2/20 0.45
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 1/20 0.45
NOTUM Q6P988 1/20 0.43
GAA P10253 2/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
IDO1 P14902 2/20 0.40
TDO2 P48775 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.39
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
HDAC3 O15379 1/20 0.38
EGFR P00533 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 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
SCHEMBL11044671 0.88 POLB (0.49) TP53MEN1KMT2AGAAMAPT
SCHEMBL11038855 0.87 TP53 (0.63) TP53MEN1NPC1RAB9AKMT2A
SCHEMBL11096860 0.86 SMN1; SMN2 (0.55) TP53SMN1; SMN2POLBLMNAALDH1A1
SCHEMBL11039631 0.86 TP53 (0.49) TP53PTGS2NPC1RAB9AGAA
SCHEMBL11044738 0.86 TP53 (0.49) TP53NPC1RAB9AGAASMN1; SMN2
SCHEMBL11040213 0.86 IDO1 (0.43) TP53MEN1NPC1RAB9AKMT2A
SCHEMBL11042738 0.86 SMN1; SMN2 (0.49) TP53PTGS2MEN1NPC1RAB9A
SCHEMBL11095871 0.85 TP53 (0.54) TP53KMT2AGAASMN1; SMN2IDO1
SCHEMBL11047507 0.84 MAPT (0.43) TP53MEN1NPC1RAB9AKMT2A
SCHEMBL11041232 0.82 KMT2A (0.49) TP53MEN1NPC1RAB9AKMT2A

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