SCHEMBL27478696

SCHEMBL27478696

COC(=O)c1ccc2nc(CCl)n(CC(C)OC(F)F)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.40
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ TLR7 Q9NYK1 3/20 0.39
▸ DRD2 P14416 2/20 0.39
▸ TBXA2R P21731 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ CNR2 P34972 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38
▸ MEN1 O00255 2/20 0.37

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
SCHEMBL27478697 1.00 ACSS2 (0.43) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL26237230 0.89 ACSS2 (0.46) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL31202954 0.89 ACSS2 (0.46) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL30474209 0.86 TLR7 (0.48) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL31143264 0.84 TP53 (0.50) ACSS2KDM4ETP53MAPTTHRB
SCHEMBL27478703 0.80 GLP1R (0.38) ACSS2MAPTALDH1A1HPGD
SCHEMBL24265281 0.80 ACSS2 (0.49) ACSS2KDM4EDRD2TBXA2RALOX15
SCHEMBL25373333 0.79 ACSS2 (0.42) ACSS2LMNA
SCHEMBL25373335 0.79 ACSS2 (0.42) ACSS2LMNA
SCHEMBL26541102 0.79 LMNA (0.38) ACSS2ALDH1A1LMNAHPGDMEN1

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-2024026338-A1 N-HETEROCYLIC GPCR RECEPTOR AGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME, AND METHODS FOR THEIR USE CARMOT THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
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