SCHEMBL13082037

SCHEMBL13082037

C=CCOC(=O)c1ccccc1-c1c2ccc(=[N+](CC)CC)cc-2oc2cc(N(CC)CC)ccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 2/20 0.54
▸ MEN1 O00255 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ POLB P06746 1/20 0.54
▸ PPARG P37231 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.54
▸ NCOR2 Q9Y618 1/20 0.54
▸ FPR2 P25090 4/20 0.49
▸ TGM2 P21980 1/20 0.48
▸ CHRM1 P11229 1/20 0.43
▸ AVPR2 P30518 4/20 0.43
▸ TLR7 Q9NYK1 1/20 0.42
▸ ABCB1 P08183 1/20 0.41
▸ CFTR P13569 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ ATM Q13315 1/20 0.40
▸ GOPC Q9HD26 1/20 0.40
▸ P2RY6 Q15077 1/20 0.40
▸ NPY4R P50391 2/20 0.39

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
SCHEMBL10298327 0.91 USP2 (0.58) USP2MEN1BLMKMT2APOLB
Hydrochloric Acid SCHEMBL23064866 0.90 USP2 (0.57) USP2MEN1BLMKMT2APOLB
SCHEMBL17693124 0.90 USP2 (0.52) USP2MEN1BLMKMT2APOLB
SCHEMBL10124264 0.89 USP2 (0.56) USP2MEN1BLMKMT2APOLB
SCHEMBL17532632 0.88 USP2 (0.51) USP2MEN1BLMKMT2APOLB
SCHEMBL9007850 0.88 USP2 (0.59) USP2MEN1BLMKMT2APOLB
SCHEMBL18350817 0.88 USP2 (0.55) USP2MEN1BLMKMT2APOLB
SCHEMBL22292200 0.88 USP2 (0.55) USP2MEN1BLMKMT2APOLB
Perchlorate SCHEMBL9638625 0.88 USP2 (0.57) USP2MEN1BLMKMT2APOLB
SCHEMBL13033323 0.88 USP2 (0.58) USP2MEN1BLMKMT2APOLB

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-20100297246-A1 SILICA-BASED NANOPARTICLES AND METHODS OF STIMULATING BONE FORMATION AND SUPPRESSING BONE RESORPTIOIN THROUGH MODULATION OF NF-KB SNU R&DB FOUNDATION (KP) 2010-11-25 — — US disclosed
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