SCHEMBL8040945

SCHEMBL8040945

CCCCCCCCCCCCCCCCCCc1nc(Cl)nc2c(CCCCCCCCCCCCCCCCCC)nc(Cl)nc12

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.42
▸ KCNH2 Q12809 1/20 0.39
▸ TYMP P19971 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ DHFR P00374 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ TSHR P16473 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL12539378 0.85 KMT2A (0.43) KMT2AKCNH2TYMPMEN1ALDH1A1
SCHEMBL12539352 0.83 KMT2A (0.42) KMT2AKCNH2TYMPMEN1ALDH1A1
SCHEMBL1685611 0.82 KMT2A (0.41) KMT2AKCNH2TYMPMEN1ALDH1A1
SCHEMBL10818337 0.75 KMT2A (0.37) KMT2AKCNH2TYMPMEN1ALDH1A1
SCHEMBL8054011 0.75 PTGS2 (0.39) KMT2AKCNH2MEN1ALDH1A1PKM
SCHEMBL19625907 0.75 KCNH2 (0.46) KMT2AKCNH2MEN1ALDH1A1PKM
SCHEMBL11417577 0.74 KMT2A (0.44) KMT2AKCNH2TYMPALDH1A1PKM
SCHEMBL11413687 0.74 KMT2A (0.44) KMT2AKCNH2TYMPALDH1A1PKM
SCHEMBL10992770 0.74 KMT2A (0.44) KMT2AKCNH2TYMPALDH1A1PKM
SCHEMBL4405124 0.74 KMT2A (0.44) KMT2AKCNH2TYMPALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11080159-A — — None — — JP disclosed
JP-2000109483-A PRODUCTION OF N-CONTAINING HETEROCYCLIC COMPOUND AGENCY OF IND SCIENCE & TECHNOL 2000-04-18 — — JP disclosed
JP-2000109484-A NUCLEIC ACID BASE-SCAVENGER CONSISTING OF N-CONTAINING HETEROCYCLIC COMPOUND AGENCY OF IND SCIENCE & TECHNOL 2000-04-18 — — JP disclosed
JP-H1180159-A NITROGEN-CONTAINING HETEROCYCLIC COMPOUND AGENCY OF IND SCIENCE & TECHNOL 1999-03-26 — — JP disclosed
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