SCHEMBL31184520

SCHEMBL31184520

Cc1cccc2c1CN(C1CCC(C(=O)Nc3ccc(=O)n(C)c3)CC1)C2=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPT P10636 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ KDM4E B2RXH2 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ GRM1 Q13255 1/20 0.37
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL31185026 0.86 KMT2A (0.48) KMT2ATSHRNPC1RAB9AMAPK1
SCHEMBL31184832 0.85 PIK3C3 (0.42) KMT2ATSHRNPC1RAB9AMAPK1
SCHEMBL31184979 0.85 ALDH1A1 (0.46) KMT2ATSHRNPC1RAB9AMAPK1
SCHEMBL31184657 0.83 ALDH1A1 (0.44) KMT2ATSHRNPC1RAB9AMAPK1
SCHEMBL31185049 0.83 ALDH1A1 (0.44) KMT2ATSHRNPC1RAB9AMAPK1
SCHEMBL31184763 0.82 EPHX2 (0.49) KMT2ATSHRNPC1RAB9AALDH1A1
SCHEMBL31184994 0.82 GRM1 (0.44) KMT2ATSHRNPC1RAB9AALDH1A1
SCHEMBL31184399 0.82 ALDH1A1 (0.43) KMT2ATSHRNPC1RAB9AALDH1A1
SCHEMBL31184428 0.82 KMT2A (0.43) KMT2ATSHRNPC1RAB9AMAPK1
SCHEMBL31184660 0.82 SMN1; SMN2 (0.42) KMT2ATSHRNPC1RAB9AMAPK1

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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