SCHEMBL29952738

SCHEMBL29952738

NC(=O)c1n[nH]cc1C=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.32
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
BLM P54132 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PARP10 Q53GL7 1/20 0.31
PARP3 Q9Y6F1 1/20 0.31
ALDH1A1 P00352 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30

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
SCHEMBL6664260 0.82 CCNC (0.30)
SCHEMBL14836334 0.82 HCAR2 (0.38) ERN1MEN1LMNATHRBBLM
SCHEMBL12240176 0.80 ERN1 (0.32) ERN1MEN1LMNATHRBBLM
SCHEMBL30902000 0.79 PDPK1 (0.32)
SCHEMBL23803901 0.77 NPSR1 (0.43) ERN1ALDH1A1
SCHEMBL15112120 0.76 YTHDC1 (0.39)
SCHEMBL13375089 0.74 KDM4E (0.32) BLMTDP1ALDH1A1PTGDR2
SCHEMBL13735546 0.74 IDO1 (0.33) MEN1THRBKMT2A
SCHEMBL1073562 0.73 KDM4E (0.44) MEN1LMNAKMT2AALDH1A1
SCHEMBL956225 0.72

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed