SCHEMBL11256285

SCHEMBL11256285

N=C(NC(N)=O)Nc1ccc(F)c(I)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLAU P00749 3/20 0.43
F2 P00734 2/20 0.43
F10 P00742 2/20 0.43
PLG P00747 2/20 0.43
PLAT P00750 2/20 0.43
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KLK1 P06870 1/20 0.37
KLK5 Q9Y337 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
FADS1 O60427 1/20 0.36
SLC2A1 P11166 1/20 0.36
AKT1 P31749 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL11253879 0.88 PLAU (0.46) PLAUF2F10PLGPLAT
SCHEMBL4097426 0.86 RAB9A (0.53) RAB9ANPC1ALDH1A1KLK1KLK5
SCHEMBL4103669 0.82 SLC2A1 (0.56) RAB9ANPC1ALDH1A1KMT2AMEN1
SCHEMBL6698612 0.82 IDO1 (0.44) PLAUF2F10PLGPLAT
SCHEMBL11260056 0.82 PLAU (0.43) PLAURAB9ANPC1ALDH1A1KMT2A
SCHEMBL11258941 0.82 MAPT (0.39) PLAUF2F10PLGPLAT
SCHEMBL12889264 0.80 PLAU (0.40) PLAUF2F10PLGPLAT
SCHEMBL11258517 0.80 HTT (0.53) PLAUF2F10PLGPLAT
SCHEMBL11253702 0.79 PLAU (0.46) PLAURAB9ANPC1ALDH1A1KMT2A
SCHEMBL11250207 0.79 PLAU (0.36) PLAUF2F10PLGPLAT

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
US-4326074-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4115564-A Treatment of diarrhea with amidinoureas WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed