SCHEMBL29952078

SCHEMBL29952078

Cc1ccnc(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UHRF1 Q96T88 1/20 0.50
CCR1 P32246 1/20 0.50
CCR5 P51681 1/20 0.50
CCR8 P51685 1/20 0.50
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
KDM4E B2RXH2 2/20 0.46
NOS2 P35228 2/20 0.46
NOS3 P29474 1/20 0.46
NOS1 P29475 1/20 0.46
PLAU P00749 1/20 0.42
FDPS P14324 1/20 0.37
CYP2A6 P11509 1/20 0.36
METAP2 P50579 1/20 0.36
ALDH1A1 P00352 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
CA2 P00918 1/20 0.36
LPL P06858 1/20 0.36
LIPG Q9Y5X9 1/20 0.36

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
SCHEMBL1843835 1.00 UHRF1 (0.50) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL1404632 0.74 ENPP2 (0.38) KDM4EALDH1A1CA2
SCHEMBL28507681 0.74 KDM4E (0.47) KMT2AMEN1KDM4EPLAUALDH1A1
SCHEMBL28668509 0.74 ENPP2 (0.38) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL18807627 0.74 UHRF1 (0.46) UHRF1CCR1CCR5CCR8KMT2A
SCHEMBL29954387 0.73 KMO (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL17181769 0.73 ASIC3 (0.41) KMT2AMEN1KDM4ENOS2NOS3
SCHEMBL1843516 0.73 KMO (0.34) KMT2AMEN1ALDH1A1SMN1; SMN2LMNA
SCHEMBL4484450 0.73 NR4A2 (0.38) ALDH1A1SMN1; SMN2LMNAL3MBTL1ROCK1
SCHEMBL22612505 0.72 ALDH1A1 (0.38) KMT2AMEN1KDM4ENOS2NOS3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120118131-A Organic metal compound and organic electroluminescent device comprising same 吉林奥来德光电材料股份有限公司 2025-06-10 CN disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed