SCHEMBL25434734

SCHEMBL25434734

O=C(Cc1cncnc1)NO

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 6/20 0.52
HDAC8 Q9BY41 6/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
KDM4E B2RXH2 1/20 0.40
CYP2D6 P10635 1/20 0.40
PDE4A P27815 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HIF1A Q16665 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC1 Q13547 6/20 0.39
HCAR2 Q8TDS4 1/20 0.38
HDAC2 Q92769 3/20 0.37
HDAC3 O15379 2/20 0.37
HDAC4 P56524 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37

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
SCHEMBL1484349 0.81 CYP1A2 (0.41) CYP1A2CYP3A4CYP2C9SMN1; SMN2HCAR2
SCHEMBL16891683 0.78 GAA (0.39) KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL19387993 0.76 CA1 (0.47) CYP1A2CYP3A4CYP2C9KDM4E
SCHEMBL25404860 0.76 HTT (0.41) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL6800466 0.76 CYP1A2 (0.72) HDAC6HDAC8MEN1KMT2ACYP1A2
SCHEMBL1227049 0.75 NAPRT (0.57) KMT2ACYP3A4KDM4EHIF1AHCAR2
SCHEMBL25467702 0.74 GAA (0.39) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL25467700 0.74 L3MBTL1 (0.41) CYP1A2CYP3A4CYP2C9KDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL1373539 0.73 NAPRT (0.55) CYP3A4KDM4EHIF1AHCAR2VNN1
SCHEMBL474360 0.73 CA2 (0.46) CYP1A2CYP3A4CYP2C9HCAR2VNN1

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-2023134629-A1 NUCLEAR TRANSPORT REGULATOR AND USE THEREOF 上海海雁医药科技有限公司 2023-07-20 WO disclosed