SCHEMBL30586367

SCHEMBL30586367

C=CCn1cnc2c(I)nc(Cl)nc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
YTHDC1 Q96MU7 7/20 0.38
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PDE8A O60658 1/20 0.36
P2RX7 Q99572 1/20 0.35
HIF1A Q16665 1/20 0.35
ADORA2B P29275 2/20 0.35
CDK1 P06493 1/20 0.35
CDK5 Q00535 1/20 0.35
PDE4A P27815 1/20 0.34
ADORA2A P29274 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 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
SCHEMBL1355050 0.84 P2RX7 (0.48) YTHDC1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29601580 0.84 P2RX7 (0.48) YTHDC1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30586405 0.82 PDE8A (0.39) YTHDC1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30586349 0.82 CCNE1 (0.45) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3441002 0.82 CDK1 (0.54) PDE8ACDK1ADORA2A
SCHEMBL9049572 0.77 CDK1 (0.50) YTHDC1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL30586396 0.76 NPC1 (0.56) HPGDNPC1RAB9ASMN1; SMN2ADORA2B
SCHEMBL30586404 0.75 YTHDC1 (0.65) YTHDC1ALDH1A1HIF1ACDK1PDE4A
SCHEMBL5999067 0.73 ALDH1A1 (0.40) YTHDC1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL2054791 0.73 HSP90AB1 (0.52)

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
CN-116693394-A Dehydrazine method and application 大连理工大学 2023-09-05 CN disclosed