SCHEMBL31184780

SCHEMBL31184780

COc1c(F)cc(NC(=O)C2CCC(N3Cc4c(C)cccc4C3=O)CC2)cc1F

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ IDO1 P14902 1/20 0.40
▸ TDO2 P48775 1/20 0.40
▸ POLB P06746 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.37
▸ MAP3K5 Q99683 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL31184468 0.89 TP53 (0.44) MAPK1TSHRKMT2ATYK2IDO1
SCHEMBL31184812 0.85 MGLL (0.48) MAPK1TSHRKMT2APOLBMAPT
SCHEMBL31184751 0.85 MTNR1A (0.53) TSHRKMT2AIDO1TDO2MAPT
SCHEMBL31184640 0.84 POLB (0.45) MAPK1TSHRKMT2ATYK2POLB
SCHEMBL31184475 0.84 POLB (0.49) MAPK1KMT2APOLBMAPTLMNA
SCHEMBL31184972 0.84 POLB (0.44) MAPK1TSHRKMT2ATYK2POLB
SCHEMBL31184809 0.84 MAPK1 (0.42) MAPK1TSHRKMT2AIDO1TDO2
SCHEMBL31184761 0.83 MAPT (0.43) MAPK1TSHRKMT2ATYK2POLB
SCHEMBL31184979 0.82 ALDH1A1 (0.46) MAPK1TSHRKMT2APOLBMAPT
SCHEMBL31185026 0.81 KMT2A (0.48) MAPK1TSHRKMT2APOLBMAPT

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