SCHEMBL11846114

SCHEMBL11846114

CCOC(=O)c1cc(NCc2ccccc2)c(Oc2cccc(C(F)(F)F)c2)c(S(N)(=O)=O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ NPSR1 Q6W5P4 2/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CA2 P00918 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ BLM P54132 1/20 0.51
▸ SLC12A2 P55011 1/20 0.51
▸ HIF1A Q16665 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ PTGS2 P35354 3/20 0.45
▸ PRKD3 O94806 2/20 0.44
▸ PRKCG P05129 2/20 0.44
▸ PRKCB P05771 2/20 0.44
▸ PRKCA P17252 2/20 0.44
▸ PRKCH P24723 2/20 0.44
▸ PRKCI P41743 2/20 0.44
▸ PRKCE Q02156 2/20 0.44

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
SCHEMBL11845025 0.90 LMNA (0.57) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11840282 0.85 ALDH1A1 (0.55) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11843695 0.85 ALOX15 (0.45) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11851183 0.83 CA2 (0.53) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11840275 0.83 RXFP1 (0.47) LMNANPSR1ALOX15RXFP1
SCHEMBL11385344 0.82 KDM4E (0.45) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11851117 0.81 LMNA (0.64) KDM4ELMNANPSR1USP2ALDH1A1
Bromide SCHEMBL11378223 0.81 PRKD3 (0.42) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11847754 0.80 ALDH1A1 (0.48) KDM4ELMNANPSR1USP2ALDH1A1
SCHEMBL11849933 0.80 ALDH1A1 (0.71) KDM4ELMNANPSR1USP2ALDH1A1

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
US-3985777-A Sulphamyl-benzoic acid derivatives LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1976-10-12 — — US disclosed
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