SCHEMBL798359

SCHEMBL798359

O=C(NCC1CC1)c1ncccc1-c1cnno1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
CNR1 P21554 13/20 0.43
CNR2 P34972 10/20 0.43
HIF1A Q16665 1/20 0.43
MLLT1 Q03111 1/20 0.40
P2RX7 Q99572 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
CYP2C9 P11712 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
SCHEMBL797912 0.76 KDM4E (0.46)
SCHEMBL798382 0.74 MKNK1 (0.38)
SCHEMBL6763911 0.74 KCNA5 (0.61) KCNA5CNR1CNR2CYP2C9
SCHEMBL27021657 0.73 KCNA5 (0.52) KCNA5CNR1CNR2P2RX7
SCHEMBL17513651 0.70 KDM4E (0.59) KCNA5CNR1CNR2
SCHEMBL4253583 0.69 CNR1 (0.60) CNR1CNR2CYP2C9
SCHEMBL30131489 0.69 P2RX7 (0.58) CNR1CNR2P2RX7
Hydrochloric Acid SCHEMBL17513110 0.69 KDM4E (0.58) KCNA5CNR1CNR2
SCHEMBL4254640 0.69 CNR1 (0.58) CNR1CNR2P2RX7
SCHEMBL14284345 0.69 CNR1 (0.58) CNR1CNR2P2RX7

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-2616465-A1 TRIAZINE-OXADIAZOLES Novartis AG (CH) 2013-07-24 EP disclosed
WO-2012035023-A1 TRIAZINE-OXADIAZOLES NOVARTIS AG (CH) 2012-03-22 WO disclosed