SCHEMBL18955172

SCHEMBL18955172

O=C(O)c1ccccc1CN1C(=O)C(=O)c2cc(I)ccc21

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CTRC Q99895 1/20 0.54
▸ PARK7 Q99497 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.48
▸ ALDH2 P05091 2/20 0.48
▸ ALDH3A1 P30838 2/20 0.48
▸ CHRM5 P08912 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ACHE P22303 2/20 0.46
▸ TGM2 P21980 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ MAPT P10636 1/20 0.45

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
SCHEMBL18954858 0.85 ACHE (0.63) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18954793 0.85 ALDH3A1 (0.69) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18954751 0.85 ALDH1A1 (0.67) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18954774 0.85 CHRM5 (0.66) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18974327 0.84 CES1 (0.62) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18954848 0.81 PARK7 (0.49) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18954540 0.81 PARK7 (0.49) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL18955277 0.81 PARK7 (0.63) PARK7ALDH1A1ALDH3A1CHRM5CA12
SCHEMBL18954626 0.81 PARK7 (0.49) PARK7ALDH1A1ALDH2ALDH3A1CHRM5
SCHEMBL5114805 0.81 ALDH1A1 (0.71) CTRCALDH1A1ALDH2ALDH3A1CA12

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-2017099695-A1 N-[(AMINOSULFONYL)PHENYL]-2-(1,2-DIHYDRO-2-OXO-3H-INDOL-3-YLIDENE)-HYDRAZINECARBOTHIOAMIDE DERIVATIVES FOR TREATING CANCER AND IMMUNOLOGICAL DISORDERS ISTANBUL UNIVERSITESI REKTORLUGU (TR) 2017-06-15 — — WO disclosed
Send feedback