SCHEMBL18960596

SCHEMBL18960596

C=C(/N=C(\N=C(\C)N)c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 2/20 0.41
▸ NOS1 P29475 2/20 0.41
▸ BLM P54132 2/20 0.38
▸ RECQL P46063 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ C1S P09871 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ METTL3 Q86U44 1/20 0.36
▸ ESR1 P03372 1/20 0.36
▸ NOS2 P35228 2/20 0.35
▸ MAOA P21397 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ F2 P00734 1/20 0.34
▸ F10 P00742 1/20 0.34
▸ F12 P00748 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
SCHEMBL14235670 0.85 BLM (0.40) BLMRECQLKMT2APRSS1PRSS2
SCHEMBL12920098 0.83 BLM (0.39) BLMRECQLKMT2APRSS1PRSS2
SCHEMBL18868807 0.83 LMNA (0.40) KMT2AALDH1A1LMNAATMMETTL3
SCHEMBL14643752 0.79 BLM (0.35) BLMRECQLKMT2APRSS1PRSS2
SCHEMBL22448436 0.77 MAPT (0.39) KMT2AALDH1A1LMNAATMMETTL3
SCHEMBL20653554 0.76 MAOA (0.35) BLMRECQLKMT2APRSS1PRSS2
SCHEMBL23166529 0.75 LMNA (0.34) KMT2AALDH1A1LMNAATMMETTL3
SCHEMBL25544880 0.74 KMT2A (0.50) BLMRECQLKMT2APRSS1PRSS2
SCHEMBL16364863 0.74 LMNA (0.45) KMT2AALDH1A1LMNAATMMETTL3
SCHEMBL13241449 0.74 GRIN2B (0.46) KMT2APOLBMAPTMEN1

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-2017099326-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY APPARATUS 삼성에스디아이 주식회사 2017-06-15 — — WO disclosed
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