SCHEMBL16204435

SCHEMBL16204435

CC/N=c1\ccc2c(-c3cc(NC(N)=S)ccc3C(=O)O)c3ccc(N(CC)CC)cc3oc-2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA1 P00915 15/20 0.41
▸ CA2 P00918 15/20 0.41
▸ CA9 Q16790 15/20 0.41
▸ CA12 O43570 8/20 0.41
▸ TLR7 Q9NYK1 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ PPARG P37231 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ NCOR2 Q9Y618 1/20 0.39
▸ DNASE1L3 Q13609 1/20 0.38
▸ PRMT1 Q99873 1/20 0.38
▸ CA14 Q9ULX7 3/20 0.37
▸ CA7 P43166 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ SLC16A3 O15427 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36

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
SCHEMBL15107472 1.00 CA1 (0.41) CA1CA2CA9CA12TLR7
SCHEMBL17517217 0.83 TGM2 (0.42) MEN1USP2POLBPPARGBLM
SCHEMBL15100483 0.83 TGM2 (0.42) MEN1USP2POLBPPARGBLM
Hydrochloric Acid SCHEMBL11336327 0.82 TGM2 (0.42) MEN1USP2POLBPPARGBLM
SCHEMBL18099762 0.81 CA1 (0.48) CA1CA2CA9CA12TLR7
SCHEMBL17359485 0.81 MEN1 (0.42) CA1CA2CA9CA12TLR7
SCHEMBL12103999 0.79 MEN1 (0.43) MEN1USP2POLBPPARGBLM
SCHEMBL13577578 0.77 P2RY6 (0.44) CA1CA2CA9CA12MEN1
SCHEMBL10595794 0.77 FPR2 (0.41) TLR7MEN1USP2POLBPPARG
Hydrochloric Acid SCHEMBL6026152 0.76 FPR2 (0.41) TLR7MEN1USP2POLBPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9719986-B2 Haptens, hapten conjugates, compositions thereof preparation and method for their preparation and use VENTANA MEDICAL SYSTEMS, INC. (US) 2017-08-01 — — US disclosed
US-20140323336-A1 HAPTENS, HAPTEN CONJUGATES, COMPOSITIONS THEREOF AND METHOD FOR THEIR PREPARATION AND USE VENTANA MEDICAL SYSTEMS, INC. (US) 2014-10-30 — — US disclosed
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