SCHEMBL30385339

SCHEMBL30385339

Nc1ccc(OCc2ccc(SC(F)(F)F)cc2)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 3/20 0.55
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PTPN1 P18031 1/20 0.41
MAOB P27338 5/20 0.39
NTRK1 P04629 1/20 0.38
CSF1R P07333 1/20 0.38
NTRK2 Q16620 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
CXCR2 P25025 1/20 0.36
HTR2A P28223 1/20 0.35
CYP19A1 P11511 1/20 0.34
S1PR5 Q9H228 1/20 0.34

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
SCHEMBL4319489 0.81 MAOB (0.59) ALDH1A1MAOB
SCHEMBL14855144 0.78 CCR5 (0.49) MAOBMRGPRX4
SCHEMBL371725 0.77 MAOB (0.53) MAOBMRGPRX4CYP19A1S1PR5
Hydrochloric Acid SCHEMBL11418706 0.76 MAOB (0.51) MAOBMRGPRX4CYP19A1S1PR5
SCHEMBL20607894 0.75 NPC1 (0.51) KDM4EALDH1A1MAOBNTRK1CSF1R
SCHEMBL30885393 0.75 PTPRZ1 (0.68) PTPRZ1KDM4EALDH1A1TDP1PTPN1
SCHEMBL5571351 0.72 MAOB (0.53) TDP1MAOBMRGPRX4CYP19A1S1PR5
SCHEMBL3321494 0.71 MAOB (0.65) MAOBMRGPRX4
SCHEMBL2565629 0.71 ALDH1A1 (0.53) KDM4EALDH1A1MRGPRX4
SCHEMBL13530325 0.70 PTPRZ1 (0.52) PTPRZ1KDM4EALDH1A1TDP1PTPN1

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
CN-116023321-B STING inhibitor prodrug and medical application thereof 中国药科大学 2024-11-29 CN disclosed
CN-116023321-A STING inhibitor prodrug and medical application thereof 中国药科大学 2023-04-28 CN disclosed