SCHEMBL28088092

SCHEMBL28088092

O=C(O)c1ccccc1CCN=C=S

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.54
▸ MIF P14174 6/20 0.53
▸ TRPA1 O75762 1/20 0.53
▸ CYP2E1 P05181 1/20 0.53
▸ CYP2A6 P11509 1/20 0.53
▸ HIF1A Q16665 1/20 0.53
▸ CYP2A13 Q16696 1/20 0.53
▸ EPAS1 Q99814 1/20 0.53
▸ NAAA Q02083 3/20 0.44
▸ KEAP1 Q14145 7/20 0.43
▸ NFE2L2 Q16236 7/20 0.43
▸ TSHR P16473 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ ALOX15 P16050 1/20 0.42

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
SCHEMBL6680027 0.83 ALDH1A1 (0.50) FOLH1MIFTRPA1CYP2E1CYP2A6
SCHEMBL332409 0.80 MIF (0.65) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL70392 0.78 FOLH1 (0.76) FOLH1HIF1ATSHRALDH1A1ALOX15
SCHEMBL30365583 0.78 FOLH1 (0.76) FOLH1HIF1ATSHRALDH1A1ALOX15
SCHEMBL25408242 0.76 FOLH1 (0.58) FOLH1HIF1ATSHRALDH1A1ALOX15
SCHEMBL5357568 0.75 MIF (0.55) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL331597 0.75 MIF (0.40) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL11669456 0.74 FOLH1 (0.55) FOLH1HIF1ATSHRALDH1A1ALOX15
SCHEMBL8763654 0.74 MIF (0.59) MIFTRPA1CYP2E1CYP2A6HIF1A
SCHEMBL9029714 0.74 FOLH1 (0.51) FOLH1MIFNAAATSHRALDH1A1

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
CN-102858944-B Delivery of particles 宝洁公司 2016-08-24 — — CN disclosed
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