SCHEMBL11044671

SCHEMBL11044671

COC(=O)Oc1nnn(-c2cc(Cl)cc(Cl)c2)c1N

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.44
GAA P10253 3/20 0.40
MAPT P10636 3/20 0.40
RECQL P46063 1/20 0.39
ALDH1A1 P00352 5/20 0.38
KMT2A Q03164 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
MEN1 O00255 2/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
PKM P14618 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
NPY5R Q15761 1/20 0.34

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
SCHEMBL11041382 0.88 TP53 (0.49) POLBTP53GAAMAPTALDH1A1
SCHEMBL11040213 0.84 IDO1 (0.43) TP53GAAMAPTALDH1A1KMT2A
SCHEMBL11038855 0.83 TP53 (0.63) POLBTP53GAAALDH1A1KMT2A
SCHEMBL11047507 0.82 MAPT (0.43) POLBTP53GAAMAPTALDH1A1
SCHEMBL11039631 0.80 TP53 (0.49) TP53GAAMAPTHPGDSMN1; SMN2
SCHEMBL11044738 0.80 TP53 (0.49) TP53GAAALDH1A1TSHRHPGD
SCHEMBL10984655 0.77 TP53 (0.68) POLBTP53GAAMAPTALDH1A1
SCHEMBL11042738 0.74 SMN1; SMN2 (0.49) TP53GAAMAPTALDH1A1KMT2A
SCHEMBL10976375 0.66 MAPK1 (0.47) L3MBTL1
SCHEMBL10983520 0.65 TP53 (0.74) TP53GAAMAPTALDH1A1CYP1A2

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