SCHEMBL3935642

SCHEMBL3935642

O=CNCc1c(F)cccc1Cl

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.57
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
ATM Q13315 2/20 0.50
TAAR1 Q96RJ0 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
RXFP1 Q9HBX9 1/20 0.49
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 1/20 0.44
MPI P34949 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TP53 P04637 1/20 0.43
LCK P06239 1/20 0.43
BTK Q06187 1/20 0.43
MAPK14 Q16539 1/20 0.43

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
SCHEMBL5546538 0.89 ADH1B (0.50) HTTSMN1; SMN2MEN1KMT2ATAAR1
SCHEMBL5544616 0.87 ADH1B (0.48) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL5993038 0.79 P2RX7 (0.44) HTTNPSR1KDM4EMAPK1P2RX7
SCHEMBL10133722 0.77 LMNA (0.64) NPSR1KDM4EALDH1A1L3MBTL1TP53
Formic Acid SCHEMBL5073763 0.77 HTT (0.56) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL2200019 0.76 TAAR1 (0.61) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL2221552 0.76 MEN1 (0.67) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL1460113 0.76 TAAR1 (0.55) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL15076833 0.76 TAAR1 (0.60) HTTSMN1; SMN2MEN1KMT2AATM
SCHEMBL29569478 0.76 TAAR1 (0.55) HTTSMN1; SMN2MEN1KMT2AATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009011904-A1 COMPOUNDS USEFUL AS FAAH MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2009-01-22 WO disclosed
US-4423219-A 6-/2-CHLORO-6-FLUOROBENZYL/AMINO-4-METHYLAMINO-5 -PHENYLAZOPYRIMIDINE, ANTIPROTOZOA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-12-27 US disclosed
EP-0052959-A1 Production of purine derivatives and intermediates therefor Takeda Chemical Industries, Ltd. (JP) 1982-06-02 EP disclosed