SCHEMBL29950700

SCHEMBL29950700

Nc1c(C=O)ccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.46
POLB P06746 3/20 0.45
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
PTPN1 P18031 2/20 0.45
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 4/20 0.44
TDP1 Q9NUW8 3/20 0.44
TSHR P16473 2/20 0.44
CYP2A6 P11509 1/20 0.44
CYP1A1 P04798 1/20 0.42
CYP1B1 Q16678 1/20 0.42
LMNA P02545 1/20 0.42
THRB P10828 1/20 0.42
BLM P54132 1/20 0.42
TYMS P04818 1/20 0.42
HPGD P15428 3/20 0.41
CYP3A4 P08684 2/20 0.41
KEAP1 Q14145 1/20 0.41
NCEH1 Q6PIU2 1/20 0.41

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
SCHEMBL514682 1.00 ERN1 (0.46) ERN1POLBMEN1KMT2APTPN1
SCHEMBL5749337 0.82 ALDH1A1 (0.41) ERN1POLBMEN1KMT2APTPN1
SCHEMBL4925716 0.79 ALDH1A1 (0.44) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL24184648 0.79 ALDH1A1 (0.44) POLBMEN1KMT2AALDH1A1HSD17B10
SCHEMBL29521593 0.78 DNMT1 (0.48) ERN1POLBMEN1KMT2APTPN1
SCHEMBL7643518 0.78 DNMT1 (0.48) ERN1POLBMEN1KMT2APTPN1
SCHEMBL17704125 0.77 MEN1 (0.41) ERN1POLBMEN1KMT2APTPN1
SCHEMBL197337 0.77 ERN1 (0.62) ERN1POLBMEN1KMT2APTPN1
SCHEMBL31663413 0.77 ERN1 (0.62) ERN1POLBMEN1KMT2APTPN1
SCHEMBL320919 0.77 ERN1 (0.47) ERN1POLBMEN1KMT2APTPN1

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