SCHEMBL14088823

SCHEMBL14088823

CN(C)c1ccc2c(-c3ccc(N=C=S)cc3C(=O)O)c3ccc(=[N+](C)C)cc-3oc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ KMT2A Q03164 2/20 0.56
▸ THRB P10828 1/20 0.56
▸ RECQL P46063 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ P2RY6 Q15077 1/20 0.54
▸ CA12 O43570 3/20 0.52
▸ CA1 P00915 3/20 0.52
▸ CA2 P00918 3/20 0.52
▸ CA9 Q16790 3/20 0.52
▸ CA14 Q9ULX7 1/20 0.46
▸ ITPR1 Q14643 1/20 0.41
▸ GBA1 P04062 2/20 0.41
▸ SLC5A2 P31639 3/20 0.39
▸ USP2 O75604 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ P2RY2 P41231 1/20 0.39
▸ HTR3A P46098 1/20 0.39
▸ APAF1 O14727 1/20 0.38

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
SCHEMBL14958553 0.94 MEN1 (0.56) MEN1BLMKMT2ATHRBRECQL
SCHEMBL29555004 0.92 P2RY6 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL7973011 0.89 USP2 (0.51) MEN1BLMKMT2ATHRBRECQL
SCHEMBL25256296 0.88 P2RY6 (0.59) MEN1BLMKMT2ATHRBRECQL
SCHEMBL14013406 0.86 MEN1 (0.57) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12307301 0.84 MEN1 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL10293759 0.84 P2RY6 (0.64) MEN1BLMKMT2ATHRBRECQL
SCHEMBL12216725 0.84 MEN1 (0.55) MEN1BLMKMT2ATHRBRECQL
Hydrochloric Acid SCHEMBL16593584 0.83 MEN1 (0.54) MEN1BLMKMT2ATHRBRECQL
Hydrochloric Acid SCHEMBL29349953 0.83 MEN1 (0.54) MEN1BLMKMT2ATHRBRECQL

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-9116128-B2 Click chemistry surface functionalization for resonant micro-cavity sensors CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2015-08-25 — — US disclosed
US-20080227092-A1 Solid-Phase Oligosaccharide Tagging: a Technique for Manipulation of Immobilized Carbohydrates MERCK PATENT GESELLSCHAFT (DE) 2008-09-18 — — US disclosed
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