SCHEMBL28818277

SCHEMBL28818277

C=CC(c1ccc(CN)cc1)S(=O)(=O)N1CC1(CC)CC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PSIP1 O75475 1/20 0.35
▸ CA12 O43570 1/20 0.30
▸ CA1 P00915 1/20 0.30
▸ CA2 P00918 1/20 0.30
▸ CA4 P22748 1/20 0.30
▸ CA6 P23280 1/20 0.30
▸ CA5A P35218 1/20 0.30
▸ CA7 P43166 1/20 0.30
▸ CA9 Q16790 1/20 0.30
▸ CA14 Q9ULX7 1/20 0.30
▸ CA5B Q9Y2D0 1/20 0.30

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
SCHEMBL27736333 0.74 TSHR (0.35) PSIP1CA12CA1CA2CA4
SCHEMBL27839481 0.73 PSIP1 (0.50) PSIP1CA12CA1CA2CA4
SCHEMBL27520313 0.72 CA1 (0.41) PSIP1CA12CA1CA2CA4
SCHEMBL28818276 0.68 PSIP1 (0.36) PSIP1CA12CA1CA2CA4
Ethane SCHEMBL28790923 0.68 MEN1 (0.43) CA1CA2CA7CA9
SCHEMBL27532362 0.68 PSIP1 (0.31) PSIP1
SCHEMBL28060151 0.68 PSIP1 (0.31) PSIP1
SCHEMBL27997387 0.68 AKR1C3 (0.40) —
SCHEMBL28060198 0.68 CA12 (0.30) CA12CA1CA2CA4CA6
SCHEMBL27915239 0.66 KDM4E (0.33) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102176828-B Antifungal preparation SCYNEXIS, INC. (US) 2015-11-25 — — CN disclosed
CN-104877001-A Antifungal Agents SCYNEXIS INC 2015-09-02 — — CN disclosed
CN-102176827-B Antifungal formulations SCYNEXIS INC 2015-05-20 — — CN disclosed
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