SCHEMBL18320677

SCHEMBL18320677

O=C(O)c1cc(-c2nnn[nH]2)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
LMNA P02545 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.60
PDE10A Q9Y233 1/20 0.60
DHODH Q02127 5/20 0.57
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
POLB P06746 2/20 0.55
ALDH1A1 P00352 2/20 0.52
GLA P06280 2/20 0.52
GAA P10253 2/20 0.52
AKR1C3 P42330 1/20 0.52
AKR1C2 P52895 1/20 0.52
AKR1C1 Q04828 1/20 0.52
ESR1 P03372 1/20 0.52
TP53 P04637 1/20 0.52
HPGD P15428 1/20 0.52
MAPK1 P28482 1/20 0.52

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
SCHEMBL18320581 0.86 MEN1 (0.57) KDM4ELMNADHODHMEN1KMT2A
SCHEMBL16142075 0.82 KDM4E (0.67) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL18746 0.80 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL29359819 0.80 KDM4E (0.83) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL374558 0.78 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL30595092 0.78 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL374556 0.78 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL7962360 0.78 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
Potassium SCHEMBL93448 0.78 KDM4E (0.80) KDM4ELMNASMN1; SMN2PDE10ADHODH
SCHEMBL10000743 0.78 CYP1A2 (0.49) KDM4ELMNASMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016202898-A1 GLUCOSE TRANSPORT INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-22 WO disclosed