SCHEMBL29951105

SCHEMBL29951105

OB(O)c1ccc2nc[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.53
KDM4E B2RXH2 4/20 0.52
MAPT P10636 3/20 0.52
RAD52 P43351 1/20 0.52
MMP12 P39900 1/20 0.49
HDAC6 Q9UBN7 1/20 0.47
CYP3A4 P08684 1/20 0.47
NAMPT P43490 1/20 0.47
XDH P47989 1/20 0.47
ENPP2 Q13822 2/20 0.47
QPCT Q16769 3/20 0.46
QPCTL Q9NXS2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 1/20 0.46
HTT P42858 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
TDP1 Q9NUW8 2/20 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
SCHEMBL4840069 1.00 PRKCI (0.53) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL12488697 0.85 ENPP2 (0.44) PRKCIKDM4EMAPTRAD52MMP12
Hydrochloric Acid SCHEMBL29951513 0.83 ENPP2 (0.43) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL13086243 0.75 PARP1 (0.63) SMN1; SMN2
SCHEMBL25955980 0.75 ENPP2 (0.42) MAPTHDAC6ENPP2ALDH1A1HPGD
Phenylboronic Acid SCHEMBL28818194 0.74 CA4 (0.50) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL30024579 0.74 PRKCI (0.59) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL352026 0.74 PRKCI (0.59) PRKCIKDM4EMAPTRAD52MMP12
SCHEMBL8634290 0.73 QPCT (0.68) PRKCIKDM4EMAPTRAD52MMP12
Hydrochloric Acid SCHEMBL28102177 0.72 KDM4E (0.60) PRKCIKDM4EMAPTRAD52MMP12

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