SCHEMBL31184816

SCHEMBL31184816

Cc1cccc2c1CN(C1CCC(C(=O)Cl)CC1)C2=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.48
▸ HTR2A P28223 1/20 0.43
▸ HTR2C P28335 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ IDH1 O75874 1/20 0.38
▸ CDK4 P11802 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CRBN Q96SW2 2/20 0.38
▸ ACHE P22303 1/20 0.35
▸ GRM1 Q13255 1/20 0.35
▸ PARP1 P09874 2/20 0.35
▸ PARP2 Q9UGN5 1/20 0.34
▸ BRD4 O60885 1/20 0.34
▸ TNF P01375 1/20 0.34
▸ IL1B P01584 1/20 0.34
▸ IKZF1 Q13422 1/20 0.34
▸ DDB1 Q16531 1/20 0.34
▸ IKZF3 Q9UKT9 1/20 0.34
▸ HTR3A P46098 1/20 0.34

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
SCHEMBL31184529 0.88 MAPK1 (0.49) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184452 0.87 MAPK1 (0.51) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184632 0.85 MAPK1 (0.46) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31184422 0.80 MAPK1 (0.40) MAPK1HTR2AHTR2CHTR2BIDH1
SCHEMBL31185026 0.79 KMT2A (0.48) MAPK1MEN1KMT2A
SCHEMBL31184979 0.79 ALDH1A1 (0.46) MAPK1MEN1KMT2A
SCHEMBL31184763 0.79 EPHX2 (0.49) MEN1KMT2ACRBNGRM1
SCHEMBL31184994 0.79 GRM1 (0.44) MEN1KMT2ACRBNGRM1
SCHEMBL31185049 0.77 ALDH1A1 (0.44) MAPK1KMT2ACRBNGRM1
SCHEMBL31184891 0.77 KMT2A (0.52) MAPK1MEN1KMT2A

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
Send feedback