SCHEMBL31184867

SCHEMBL31184867

COc1ccc(NC(=O)C2(C)CCC(N3Cc4c(C)ccc(OC)c4NC3=O)CC2)cc1C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.44
▸ IMPDH2 P12268 2/20 0.36
▸ MAPT P10636 4/20 0.34
▸ CRHBP P24387 1/20 0.34
▸ CRHR2 Q13324 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ MET P08581 1/20 0.33
▸ AXL P30530 1/20 0.33
▸ EGLN2 Q96KS0 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ F11 P03951 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32

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
SCHEMBL31184672 0.91 MAPT (0.36) ALDH1A1MAPTCRHBPCRHR2CNR1
SCHEMBL31184478 0.91 MAPT (0.38) ALDH1A1MAPTCRHBPCRHR2CNR1
SCHEMBL31184982 0.89 ALDH1A1 (0.42) ALDH1A1IMPDH2MAPTCRHBPCRHR2
SCHEMBL31184793 0.88 ALDH1A1 (0.42) ALDH1A1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL31184508 0.86 ALDH1A1 (0.45) ALDH1A1MAPTCYP1A2CYP2C19CYP3A4
SCHEMBL31184987 0.82 HTR2B (0.36) MAPTCRHBPCRHR2
SCHEMBL31184984 0.79 HTR2A (0.38) MAPTCRHBPCRHR2MEN1KMT2A
SCHEMBL31185021 0.79 MAPT (0.36) ALDH1A1MAPTCRHBPCRHR2CNR1
SCHEMBL31184638 0.79 PARP1 (0.37) MAPTCRHBPCRHR2CNR1CNR2
SCHEMBL31184643 0.79 PARP1 (0.37) MAPTCRHBPCRHR2CNR1CNR2

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