SCHEMBL31184809

SCHEMBL31184809

COc1ccc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 4/20 0.41
▸ MAP3K5 Q99683 1/20 0.41
▸ MTNR1A P48039 2/20 0.41
▸ MTNR1B P49286 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ NPSR1 Q6W5P4 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ IDO1 P14902 1/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL31184751 0.85 MTNR1A (0.53) KMT2AMTNR1AMTNR1BALDH1A1MEN1
SCHEMBL31184780 0.84 MAPK1 (0.43) MAPK1KMT2AMAP3K5MTNR1AMTNR1B
SCHEMBL31184468 0.82 TP53 (0.44) MAPK1KMT2AALDH1A1TSHRRAB9A
SCHEMBL31184891 0.81 KMT2A (0.52) MAPK1KMT2AMAP3K5ALDH1A1MEN1
SCHEMBL31184640 0.79 POLB (0.45) MAPK1KMT2AALDH1A1TSHRRAB9A
SCHEMBL31184475 0.79 POLB (0.49) MAPK1KMT2AALDH1A1MEN1NPSR1
SCHEMBL31184972 0.79 POLB (0.44) MAPK1KMT2AMTNR1AMTNR1BALDH1A1
SCHEMBL31184630 0.79 HPGD (0.44) MAPK1RAB9A
SCHEMBL31184812 0.78 MGLL (0.48) MAPK1KMT2AALDH1A1MEN1TSHR
SCHEMBL31184632 0.77 MAPK1 (0.46) MAPK1KMT2AALDH1A1MEN1NPSR1

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-2024220626-A1 SMALL MOLECULE MODULATORS OF OGG1 AZKARRA THERAPEUTICS, INC. (US) 2024-10-24 — — WO disclosed
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