SCHEMBL22601397

SCHEMBL22601397

Cc1cnn2c(N)nc(N)nc12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.34
HTT P42858 1/20 0.34
MEN1 O00255 4/20 0.32
NPC1 O15118 4/20 0.32
KMT2A Q03164 4/20 0.32
SMN1; SMN2 Q16637 4/20 0.32
MAPT P10636 3/20 0.32
RAB9A P51151 3/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
MAPK1 P28482 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31

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
SCHEMBL30363648 0.76 CDK2 (0.45) MEN1KMT2AHSP90AA1
SCHEMBL22601380 0.76 CDK2 (0.34) MAPK1
SCHEMBL18520805 0.72 KDM4E (0.41) KDM4EHTTMEN1NPC1KMT2A
SCHEMBL21754187 0.69 CYP11B2 (0.39) KDM4EMEN1NPC1KMT2ASMN1; SMN2
SCHEMBL4301939 0.68 KDM4E (0.32) KDM4EHTTMEN1NPC1KMT2A
SCHEMBL18520806 0.67 FABP6 (0.37) HSD17B10CYP1A2CYP3A4
SCHEMBL10407271 0.63 KDM4E (0.41) KDM4EHTTMEN1NPC1KMT2A
SCHEMBL13650606 0.63 ALDH1A1 (0.44) KDM4EHTTMEN1NPC1KMT2A
SCHEMBL13650607 0.63 KDM4E (0.34) KDM4EHTTNPC1KMT2AMAPT
SCHEMBL24225927 0.62 KDM5A (0.50) KDM4EHTTKMT2ASMN1; SMN2ALDH1A1

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-2020216327-A1 DERIVATIVES OF GLYCERO-MANNO-HEPTOSE ADP FOR USE IN MODULATING IMMUNE RESPONSE SHANGHAI YAO YUAN BIOTECHNOLOGY CO., LTD. (CN) 2020-10-29 WO disclosed