SCHEMBL29953833

SCHEMBL29953833

CCCNC(=O)c1cc(B(O)O)ccc1Cl

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.62
KMT2A Q03164 1/20 0.62
POLB P06746 1/20 0.56
THRB P10828 1/20 0.56
RECQL P46063 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HPGD P15428 4/20 0.49
CYP1A2 P05177 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 2/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA3 P07451 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42

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
SCHEMBL29952526 0.92 HPGD (0.61) HSD17B10KMT2APOLBTHRBRECQL
SCHEMBL29950679 0.88 HSD17B10 (0.47) HSD17B10KMT2APOLBTHRBRECQL
SCHEMBL18282327 0.88 HSD17B10 (0.47) HSD17B10KMT2APOLBTHRBRECQL
SCHEMBL29953221 0.82 L3MBTL1 (0.49) HSD17B10KMT2APOLBTHRBRECQL
SCHEMBL5118292 0.80 P2RX7 (0.63) KMT2APOLBNPC1RAB9AP2RX7
SCHEMBL29953067 0.80 SMN1; SMN2 (0.51) HSD17B10KMT2AHPGDCYP1A2NPC1
SCHEMBL3983398 0.79 L3MBTL1 (0.49) HSD17B10KMT2APOLBTHRBRECQL
SCHEMBL18789436 0.77 MEN1 (0.54) KMT2AHPGDNPC1RAB9AALDH1A1
SCHEMBL29956390 0.76 POLB (0.54) KMT2APOLBALDH1A1KDM4EMAPT
SCHEMBL29952586 0.76 PSMB5 (0.44) HSD17B10HPGDALDH1A1TSHRHTT

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