SCHEMBL29956501

SCHEMBL29956501

CN(Cc1ccccn1)Cc1ccccc1B(O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 5/20 0.47
KMT2A Q03164 1/20 0.45
CXCR2 P25025 1/20 0.45
TDP1 Q9NUW8 4/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LIN28A Q9H9Z2 1/20 0.45
TSHR P16473 2/20 0.43
NPSR1 Q6W5P4 1/20 0.40
POLB P06746 1/20 0.40
KCNA5 P22460 1/20 0.39
NR1H2 P55055 2/20 0.39
NR1H3 Q13133 2/20 0.39

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
SCHEMBL804182 0.82 TDP1 (0.63) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL15780037 0.81 KDM4E (0.49) KCNH2MAPTALDH1A1KDM4EKMT2A
Hydrochloric Acid SCHEMBL28308406 0.80 TDP1 (0.61) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL29951011 0.78 KDM4E (0.52) MAPTALDH1A1KDM4EKMT2ACXCR2
SCHEMBL29957724 0.77 KDM4E (0.43) KCNH2ALDH1A1KDM4EKMT2ACXCR2
SCHEMBL14753645 0.77 LIPG (0.47) ALDH1A1KDM4ECYP1A2CYP2D6CYP2C19
SCHEMBL29956436 0.76 ALDH1A1 (0.55) MAPTALDH1A1KDM4EKMT2ACYP3A4
SCHEMBL4695639 0.76 ALDH1A1 (0.55) MAPTALDH1A1KDM4EKMT2ACYP3A4
SCHEMBL12245197 0.75 TDP1 (0.55) MAPTALDH1A1KDM4EKMT2ATDP1
SCHEMBL30093166 0.75 KDM4E (0.64) MAPTALDH1A1KDM4EKMT2ATDP1

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