SCHEMBL5199044

SCHEMBL5199044

CCCc1c(OCc2ccc(Cl)nc2)ccc(CC=O)c1O

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
MAPT P10636 2/20 0.52
CYP1A2 P05177 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
POLB P06746 1/20 0.45
KDM4E B2RXH2 1/20 0.43
PLK1 P53350 1/20 0.42
CYSLTR1 Q9Y271 3/20 0.40
GRM2 Q14416 2/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
CTSD P07339 2/20 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
SCHEMBL5198754 0.83 MEN1 (0.54) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL5198640 0.83 MEN1 (0.54) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL3178031 0.80 CYSLTR1 (0.60) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL5200408 0.79 MAPT (0.51) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL5200187 0.77 MEN1 (0.51) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL5050181 0.74 CYP1A2 (0.67) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL5200552 0.74 MEN1 (0.50) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL5200365 0.74 MEN1 (0.48) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL9508098 0.72 MEN1 (0.58) MEN1KMT2AMAPTCYP1A2TSHR
SCHEMBL9509183 0.72 MEN1 (0.58) MEN1KMT2AMAPTCYP1A2TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1817300-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2007-08-15 EP disclosed
WO-2006057860-A1 POTENTIATORS OF GLUTAMATE RECEPTORS ELI LILLY AND COMPANY (US) 2006-06-01 WO disclosed