SCHEMBL23434883

SCHEMBL23434883

C=C(C)C(Cc1c[nH]c2ccccc12)N[N+]#N

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.52
▸ HTR2A P28223 2/20 0.49
▸ ADRB1 P08588 1/20 0.49
▸ HTR1A P08908 1/20 0.49
▸ ADRA2A P08913 1/20 0.49
▸ SLC6A2 P23975 1/20 0.49
▸ HTR1D P28221 1/20 0.49
▸ HTR1B P28222 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR1E P28566 1/20 0.49
▸ SLC6A4 P31645 1/20 0.49
▸ HTR7 P34969 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ HTR6 P50406 1/20 0.49
▸ SLC6A3 Q01959 1/20 0.49
▸ ACE P12821 3/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ APAF1 O14727 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48

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
SCHEMBL27043147 0.84 ALOX15 (0.56) ALOX15HTR2AADRB1HTR1AADRA2A
SCHEMBL18658967 0.83 ALOX15 (0.62) ALOX15ACEKDM4EAPAF1POLB
SCHEMBL19372678 0.75 MAPT (0.67) HTR2AADRB1HTR1AADRA2ASLC6A2
SCHEMBL27268943 0.74 HTR2A (0.55) ALOX15HTR2AADRB1HTR1AADRA2A
SCHEMBL25802646 0.74 KMT2A (0.52) ALOX15HTR2AADRB1HTR1AADRA2A
SCHEMBL9985687 0.73 ALOX15 (0.60) ALOX15ACEKDM4EAPAF1POLB
SCHEMBL14595060 0.73 KDM4E (0.63) ALOX15ACEKDM4EAPAF1POLB
SCHEMBL12950374 0.73 ALOX15 (0.63) ALOX15ACEKDM4EAPAF1POLB
SCHEMBL16656706 0.73 ALOX15 (0.63) ALOX15ACEKDM4EAPAF1POLB
SCHEMBL19296166 0.73 KDM4E (0.63) ALOX15ACEKDM4EAPAF1POLB

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
EP-3350195-B1 THE METHOD OF SYNTHESIS AND PURIFICATION OF A NUCLEOSIDE AND/OR A NUCLEOTIDE, A MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE, A DNA MOLECULE AND AN OLIGONUCLEOTIDE LIBRARY COMPRISING SAID MODIFIED NUCLEOSIDE AND/OR NUCLEOTIDE AND THE USE OF SAID OLIGONUCLEOTIDE LIBRARY PURE BIOLOGICS SPOLKA AKCYJNA (PL) 2021-06-02 — — EP disclosed
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