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SCHEMBL22989031

SCHEMBL22989031

c1ccc2c(-c3ccc4c(c3)sc3ccccc34)nc(-c3ccc4cc(-n5c6ccc7cccc8oc9cccc%10ccc5c(c%109)c6c78)ccc4c3)nc2c1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ RPA1 P27694 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ VDR P11473 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30
▸ CYP2B6 P20813 1/20 0.30
▸ AHR P35869 1/20 0.30
▸ NR1I3 Q14994 1/20 0.30

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
SCHEMBL22989187 0.94 MEN1 (0.34) MEN1KMT2AATMHPGDRPA1
SCHEMBL22989190 0.90 MEN1 (0.32) MEN1KMT2AATMHPGD
SCHEMBL22989016 0.90 ATM (0.38) MEN1KMT2AATMHPGDCYP1A2
SCHEMBL22988908 0.89 RPA1 (0.32) MEN1KMT2ARPA1CYP1A2
SCHEMBL22989001 0.88 ATM (0.35) MEN1KMT2AATMHPGDCYP1A2
SCHEMBL22989193 0.88 HPGD (0.36) MEN1KMT2AATMHPGDRPA1
SCHEMBL22989029 0.88 ATM (0.43) MEN1KMT2AATMHPGDCYP1A2
SCHEMBL22989017 0.87 ATM (0.42) MEN1KMT2AATMHPGDCYP1A2
SCHEMBL22989184 0.86 MEN1 (0.41) MEN1KMT2AATMHPGDCYP1A2
SCHEMBL22989224 0.85 HPGD (0.31) HPGD

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-2021029757-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME 주식회사 엘지화학 2021-02-18 — — WO disclosed