SCHEMBL30249347

SCHEMBL30249347

Cc1ccc(-c2ccc([S+](c3ccccc3)c3ccccc3)c(-c3ccc(C)cc3)c2-c2ccc(C)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.34
HPRT1 P00492 1/20 0.33
PTGS1 P23219 1/20 0.33
RAB9A P51151 5/20 0.33
NPC1 O15118 4/20 0.33
HPGD P15428 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ACHE P22303 2/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
ALDH1A1 P00352 3/20 0.32
MAPT P10636 3/20 0.32

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
SCHEMBL28139840 0.80 NPC1 (0.47) PTGS2HPRT1PTGS1RAB9ANPC1
Iodide SCHEMBL6933347 0.77 LMNA (0.36) HPRT1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL15519390 0.75 PTGS2 (0.47) PTGS2PTGS1TDP1ACHEALDH1A1
SCHEMBL29968520 0.72 ACHE (0.46) HPRT1RAB9ANPC1HPGDSMN1; SMN2
P-Xylene SCHEMBL4152294 0.71 ACHE (0.56) RAB9ANPC1HPGDSMN1; SMN2TDP1
SCHEMBL28243656 0.70 ALDH1A1 (0.42) PTGS2HPRT1PTGS1RAB9ANPC1
SCHEMBL47574 0.69 ACHE (0.53) RAB9ANPC1HPGDSMN1; SMN2TDP1
SCHEMBL9876442 0.69 ACHE (0.53) PTGS2HPRT1RAB9ANPC1HPGD
SCHEMBL425893 0.69 ACHE (0.53) RAB9ANPC1HPGDSMN1; SMN2TDP1
Ammonia Solution, Strong SCHEMBL18507939 0.69 TDP1 (0.44) PTGS2HPRT1RAB9ANPC1HPGD

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-2023053877-A1 PHOTOACID GENERATOR, RESIST COMPOSITION, AND METHOD FOR PRODUCING DEVICE USING SAID RESIST COMPOSITION 東洋合成工業株式会社 2023-04-06 WO disclosed