SCHEMBL11054396

SCHEMBL11054396

FC(F)(F)c1cc(-c2cccs2)n2ncnc2n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 14/20 0.62
ALDH1A1 P00352 11/20 0.62
GAA P10253 4/20 0.62
L3MBTL1 Q9Y468 2/20 0.57
HPGD P15428 6/20 0.57
GLA P06280 2/20 0.57
HSD17B10 Q99714 3/20 0.44
MAPK1 P28482 3/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPT P10636 1/20 0.42
XBP1 P17861 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
LMNA P02545 2/20 0.41
SDHB P21912 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
S1PR4 O95977 1/20 0.41
TP53 P04637 1/20 0.41
S1PR1 P21453 1/20 0.41

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
SCHEMBL6203180 0.75 GABRA1 (0.48) KDM4EALDH1A1GAAL3MBTL1HPGD
SCHEMBL4425907 0.70 ALDH1A1 (0.44) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL20266759 0.69 ALDH1A1 (0.43) KDM4EALDH1A1GAAHPGDTSHR
SCHEMBL18358397 0.69 ALDH1A1 (0.48) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL22004819 0.69 TP53 (0.45) KDM4EALDH1A1GAAHPGDSMN1; SMN2
SCHEMBL4548028 0.69 KDM4E (0.58) KDM4EALDH1A1GAAL3MBTL1HPGD
SCHEMBL18195118 0.67 KDM4E (0.55) KDM4EALDH1A1GAAL3MBTL1HPGD
SCHEMBL710035 0.67 ALDH1A1 (0.43) KDM4EALDH1A1GAAL3MBTL1HPGD
SCHEMBL12807981 0.66 MEN1 (0.53) ALDH1A1MAPK1TSHRKMT2AMEN1
SCHEMBL27907538 0.64 KDM4E (0.52) KDM4EALDH1A1GAAL3MBTL1HPGD

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-4444774-A TRANQUILIZERS AMERICAN CYANAMID COMPANY (US) 1984-04-24 US disclosed