SCHEMBL31185026

SCHEMBL31185026

Cc1cccc2c1CN(C1CCC(C(=O)Nc3ccc(O)cc3)CC1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ EPHX2 P34913 1/20 0.44
▸ MAPK1 P28482 1/20 0.41
▸ ME3 Q16798 1/20 0.41
▸ NAMPT P43490 1/20 0.41
▸ MAPT P10636 5/20 0.41
▸ NPC1 O15118 3/20 0.41
▸ RAB9A P51151 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ POLB P06746 1/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ CASP3 P42574 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ ALOX15 P16050 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
SCHEMBL31185049 0.89 ALDH1A1 (0.44) KMT2ATSHRMAPK1MAPTNPC1
SCHEMBL31184657 0.89 ALDH1A1 (0.44) KMT2ATSHRMAPK1MAPTNPC1
SCHEMBL31184979 0.88 ALDH1A1 (0.46) KMT2ATSHRMAPK1MAPTNPC1
SCHEMBL31184763 0.86 EPHX2 (0.49) KMT2ATSHREPHX2MAPTNPC1
SCHEMBL31184520 0.86 KMT2A (0.43) KMT2ATSHRMAPK1NAMPTMAPT
SCHEMBL31184428 0.86 KMT2A (0.43) KMT2ATSHRMAPK1NAMPTMAPT
SCHEMBL31184994 0.86 GRM1 (0.44) KMT2ATSHREPHX2MAPTNPC1
SCHEMBL31184399 0.86 ALDH1A1 (0.43) KMT2ATSHRMAPTNPC1RAB9A
SCHEMBL31184660 0.85 SMN1; SMN2 (0.42) KMT2ATSHRMAPK1MAPTNPC1
SCHEMBL31184655 0.85 SMN1; SMN2 (0.46) KMT2ATSHRMAPK1MAPTNPC1

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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