SCHEMBL30944896

SCHEMBL30944896

O=C(Cl)c1ccc2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DOT1L Q8TEK3 1/20 0.65
HTT P42858 2/20 0.64
ALOX15 P16050 1/20 0.64
PLK1 P53350 1/20 0.64
NPC1 O15118 5/20 0.54
POLB P06746 3/20 0.54
MAPT P10636 3/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC2 Q92769 1/20 0.54
RAB9A P51151 5/20 0.53
ALDH1A1 P00352 5/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 1/20 0.52
PABPC1 P11940 1/20 0.51
BCAT1 P54687 1/20 0.51
GAA P10253 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50

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
SCHEMBL998802 1.00 DOT1L (0.65) DOT1LHTTALOX15PLK1NPC1
Hydrochloric Acid SCHEMBL1879577 0.98 DOT1L (0.63) DOT1LHTTALOX15PLK1NPC1
SCHEMBL2524478 0.86 ALDH1A1 (0.55) DOT1LHTTALOX15PLK1NPC1
SCHEMBL27856105 0.85 DOT1L (0.73) DOT1LHTTALOX15PLK1NPC1
SCHEMBL29489054 0.84 HTT (0.66) DOT1LHTTALOX15PLK1NPC1
SCHEMBL323178 0.84 HTT (0.66) DOT1LHTTALOX15PLK1NPC1
SCHEMBL2976951 0.83 HDAC1 (0.61) DOT1LHTTALOX15PLK1NPC1
SCHEMBL24021437 0.82 HTT (0.64) DOT1LHTTALOX15PLK1NPC1
Hydrochloric Acid SCHEMBL998803 0.82 HTT (0.64) DOT1LHTTALOX15PLK1NPC1
SCHEMBL21169603 0.82 DOT1L (0.65) DOT1LHTTALOX15PLK1NPC1

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
CN-118772139-A Organic electroluminescent compounds and organic electroluminescent device thereof 陶氏环球技术有限责任公司 2024-10-15 CN disclosed
CN-114805337-B Organic electroluminescent compounds and organic electroluminescent device thereof 陶氏环球技术有限责任公司 2024-07-23 CN disclosed