SCHEMBL30961817

SCHEMBL30961817

COC(=O)c1nc(OC)c2c(n1)c1cc(Br)ccc1n2CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ELANE P08246 4/20 0.36
TSPO P30536 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C19 P33261 1/20 0.35
OPRM1 P35372 1/20 0.35
NR4A2 P43354 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PLA2G2A P14555 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
IDO1 P14902 2/20 0.33
METAP2 P50579 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL30961812 0.85 CAMK2D (0.36) PTGER4LMNANPSR1TSHRHSD17B10
SCHEMBL30961757 0.84 MAPT (0.36) PTGER4TSPOCYP1A2CYP2C19OPRM1
SCHEMBL30961882 0.82 TSPO (0.35) TSPOCYP1A2CYP2C19OPRM1LMNA
SCHEMBL31661382 0.77 TSHR (0.40) PTGER4L3MBTL1ELANENR4A2LMNA
SCHEMBL30961858 0.77 CAMK2D (0.35) TSHRHSD17B10IDO1ALDH1A1MAPT
SCHEMBL30961808 0.76 MAPT (0.38) PTGER4LMNANPSR1TSHRHSD17B10
SCHEMBL30961813 0.75 CAMK2D (0.36) PTGER4LMNAPLA2G2AHSD17B10METAP2
SCHEMBL31661333 0.72 PTGER4 (0.38) PTGER4L3MBTL1HTTTSHRHSD17B10
SCHEMBL31661358 0.71 IDO1 (0.38) PTGER4HTTTSHRIDO1METAP2
SCHEMBL30961771 0.69 NT5E (0.35) TSPOLMNAHTTNPSR1IDO1

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
EP-4633739-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS Flare Therapeutics, Inc. (US) 2025-10-22 EP disclosed
WO-2024129715-A1 COMPOUNDS AND COMPOSITION FOR TARGETING TP53-Y220C MUTANTS FLARE THERAPEUTICS INC. (US) 2024-06-20 WO disclosed