SCHEMBL24030912

SCHEMBL24030912

c1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-c3cccc4oc5c6cccc7c6c(cc5c34)-c3ccccc3-7)n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ TSHR P16473 6/20 0.40
▸ HSD17B10 Q99714 4/20 0.40
▸ HPGD P15428 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ MAPT P10636 9/20 0.37
▸ KDM4E B2RXH2 4/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ POLB P06746 2/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ KMT2A Q03164 5/20 0.35

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
SCHEMBL24030607 0.97 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030915 0.96 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030864 0.95 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030641 0.94 MAPT (0.37) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030644 0.93 TSHR (0.36) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030847 0.91 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030900 0.91 ALDH1A1 (0.40) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL24030603 0.90 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL25647725 0.88 ALDH1A1 (0.41) ALDH1A1TSHRHSD17B10HPGDMAPK1
SCHEMBL25683641 0.86 MAPT (0.41) ALDH1A1TSHRHSD17B10HPGDMAPK1

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-2021230690-A1 NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME 주식회사 엘지화학 2021-11-18 — — WO disclosed
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