SCHEMBL29954996

SCHEMBL29954996

CC(=O)Nc1cnccc1C=O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.42
KDM4C Q9H3R0 3/20 0.41
CHUK O15111 1/20 0.41
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.37
EPHX1 P07099 1/20 0.37
KDM4E B2RXH2 1/20 0.37
GLA P06280 1/20 0.37
GAA P10253 1/20 0.37
MAPK10 P53779 1/20 0.36
DYRK1A Q13627 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
SCHEMBL3231667 1.00 TSHR (0.42) TSHRKDM4CCHUKHPGDMAPT
SCHEMBL29956744 0.86 TSHR (0.42) TSHRKDM4CCHUKHPGDMAPT
SCHEMBL28369676 0.85 HPGD (0.40) TSHRKDM4CCHUKHPGDMAPT
SCHEMBL3824156 0.84 KDM4C (0.42) KDM4CKDM4EKDM4DKDM6B
SCHEMBL1501756 0.82 TSHR (0.46) TSHRKDM4CMAPTCYP1A2CYP3A4
SCHEMBL9000776 0.81 CHUK (0.38) TSHRKDM4CCHUKHPGDMAPT
SCHEMBL10338664 0.80 KDM4C (0.47) TSHRKDM4CCHUKHPGDMAPT
SCHEMBL3225455 0.79 LMNA (0.49) MAPTALDH1A1KDM4EGLAGAA
SCHEMBL29957148 0.79 CYP17A1 (0.47)
SCHEMBL1020140 0.79 CYP17A1 (0.47)

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