SCHEMBL9117948

SCHEMBL9117948

C=C(C(=O)O)c1cccnc1C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.54
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 3/20 0.44
MAPT P10636 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
BLM P54132 1/20 0.44
AGER Q15109 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYC P01106 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 3/20 0.43
NAPRT Q6XQN6 2/20 0.43
GAA P10253 2/20 0.40
MKNK1 Q9BUB5 1/20 0.39
MKNK2 Q9HBH9 1/20 0.39
KMT2A Q03164 2/20 0.38

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
SCHEMBL8022308 0.81 P2RX7 (0.58) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL29651292 0.80 KDM4E (0.63) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL17210751 0.80 P2RX7 (0.52) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL71547 0.80 KDM4E (0.63) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL23830166 0.80 P2RX7 (0.66) P2RX7KDM4ETDP1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL1646832 0.79 KDM4E (0.61) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL9507784 0.79 KDM4E (0.61) P2RX7KDM4ETDP1ALDH1A1MAPT
Iodide SCHEMBL10567955 0.79 KDM4E (0.61) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL27612979 0.79 KDM4E (0.61) P2RX7KDM4ETDP1ALDH1A1MAPT
SCHEMBL7715770 0.79 KDM4E (0.61) P2RX7KDM4ETDP1ALDH1A1MAPT

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-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed