SCHEMBL25809782

SCHEMBL25809782

COC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C2(C)C

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STING1 Q86WV6 3/20 0.72
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ATM Q13315 1/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 1/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
CPT1B Q92523 1/20 0.45
RXFP1 Q9HBX9 1/20 0.44
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
TP53 P04637 3/20 0.43
MAPK14 Q16539 2/20 0.42
THRB P10828 1/20 0.42

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
SCHEMBL22043970 0.91 STING1 (0.61) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL22044779 0.91 STING1 (0.61) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21990175 0.91 STING1 (0.61) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL22044387 0.89 STING1 (0.59) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL22044775 0.89 STING1 (0.59) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL22043972 0.89 STING1 (0.73) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL25943521 0.88 STING1 (0.57) STING1SMN1; SMN2ALDH1A1MAPTCPT2
SCHEMBL22043975 0.88 STING1 (0.57) STING1SMN1; SMN2MEN1KMT2AATM
SCHEMBL21990159 0.87 STING1 (0.93) STING1SMN1; SMN2KMT2AALDH1A1MAPT
SCHEMBL25942338 0.86 STING1 (0.55) STING1SMN1; SMN2ALDH1A1TSHRCPT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
WO-2023122298-A1 PROTEIN STABILIZING COMPOUNDS CONTAINING USP28 AND/OR USP25 TARGETING LIGANDS Stablix, Inc. (US) 2023-06-29 WO disclosed