SCHEMBL31184745

SCHEMBL31184745

Cc1cccc2c1CN(C1CCC(C(=O)Nc3ccc(Cl)c(C#N)c3)CC1)C2=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 5/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.43
▸ HTT P42858 2/20 0.43
▸ GSPT1 P15170 1/20 0.41
▸ CRBN Q96SW2 1/20 0.41
▸ KMT2A Q03164 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MALT1 Q9UDY8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ EPHX2 P34913 1/20 0.40
▸ GRM4 Q14833 1/20 0.39
▸ SLC22A12 Q96S37 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ ALOX12 P18054 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
SCHEMBL31184655 0.92 SMN1; SMN2 (0.46) GRM1SMN1; SMN2HTTGSPT1CRBN
SCHEMBL31184994 0.91 GRM1 (0.44) GRM1SMN1; SMN2HTTGSPT1CRBN
SCHEMBL31184763 0.91 EPHX2 (0.49) GRM1SMN1; SMN2HTTGSPT1CRBN
SCHEMBL31184646 0.88 SMN1; SMN2 (0.43) GRM1SMN1; SMN2HTTKMT2ANPC1
SCHEMBL31184812 0.88 MGLL (0.48) GRM1SMN1; SMN2GSPT1CRBNKMT2A
SCHEMBL31184818 0.88 ALDH1A1 (0.46) SMN1; SMN2HTTKMT2ANPC1RAB9A
SCHEMBL31184740 0.87 IMPDH2 (0.47) SMN1; SMN2HTTKMT2ANPC1RAB9A
SCHEMBL31184499 0.86 MALT1 (0.46) GRM1SMN1; SMN2KMT2AMALT1ALDH1A1
SCHEMBL31184979 0.86 ALDH1A1 (0.46) SMN1; SMN2KMT2ANPC1RAB9AALDH1A1
SCHEMBL31185049 0.84 ALDH1A1 (0.44) GRM1SMN1; SMN2GSPT1CRBNKMT2A

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