SCHEMBL23226429

SCHEMBL23226429

CC[S+]([O-])Nc1cc(NC(=O)c2ccc(-c3ccc(C(F)(F)F)cc3Cl)cc2)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPT P10636 3/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ LMNA P02545 2/20 0.41
▸ TMPRSS4 Q9NRS4 3/20 0.41
▸ P2RX1 P51575 2/20 0.41
▸ P2RX4 Q99571 2/20 0.41
▸ P2RX7 Q99572 2/20 0.41
▸ IL2 P60568 1/20 0.41
▸ DHODH Q02127 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.39
▸ SMO Q99835 1/20 0.39
▸ SLC2A1 P11166 1/20 0.39
▸ PTPN1 P18031 1/20 0.38
▸ STING1 Q86WV6 1/20 0.38

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
SCHEMBL23226470 0.93 MEN1 (0.45) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL23226420 0.90 MEN1 (0.43) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL23226758 0.89 TRPV1 (0.39) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL23226443 0.85 KMT2A (0.49) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL23226416 0.84 STING1 (0.45) MEN1KMT2ALMNATMPRSS4P2RX1
SCHEMBL23226430 0.83 STING1 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL23226444 0.83 MEN1 (0.60) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL30116622 0.83 ALDH1A1 (0.50) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL30116638 0.82 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2D6CYP2C19
SCHEMBL23226421 0.81 STING1 (0.47) MEN1KMT2ACYP3A4CYP2D6CYP2C19

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-2021068950-A1 AMIDE COMPOUND AND MEDICAL USE THEREOF AS STING INHIBITOR 中国药科大学 2021-04-15 — — WO disclosed
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