SCHEMBL21393779

SCHEMBL21393779

C=C/N=C\c1ncccc1C(C)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.36
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CYP3A4 P08684 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
TSHR P16473 1/20 0.35
BLM P54132 1/20 0.35
AGER Q15109 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NAPRT Q6XQN6 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
P2RX7 Q99572 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL7022816 0.82 FGF23 (0.43) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL13714099 0.76 LMNA (0.44) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL20310312 0.75 CTH (0.48) KDM4EALDH1A1MAPTL3MBTL1SMN1; SMN2
SCHEMBL7301605 0.66 KDM4E (0.47) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL29496114 0.66 P2RX7 (0.61) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL187727 0.66 KDM4E (0.55) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL70978 0.66 P2RX7 (0.61) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL6263675 0.66 KDM4E (0.57) KDM4EALDH1A1TDP1CYP3A4MAPT
SCHEMBL21958003 0.66 TDP1 (0.53) KDM4EALDH1A1TDP1ALOX15TSHR
SCHEMBL21896039 0.66 LMNA (0.41) KDM4EALDH1A1TDP1CYP3A4MAPT

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
WO-2019182925-A1 OXADIAZOLE TRANSIENT RECEPTOR POTENTIAL CHANNEL INHIBITORS GENENTECH, INC. (US) 2019-09-26 WO disclosed