SCHEMBL11254366

SCHEMBL11254366

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
LMNA P02545 2/20 0.47
XBP1 P17861 1/20 0.47
HTT P42858 2/20 0.45
EPHX1 P07099 2/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
NOTUM Q6P988 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
TMPRSS4 Q9NRS4 2/20 0.41
KDR P35968 1/20 0.40
PDK1 Q15118 1/20 0.40
KIF11 P52732 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 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
SCHEMBL11259118 0.84 KCNQ3 (0.45) LMNAHTTSMN1; SMN2TMPRSS4KDR
SCHEMBL6691674 0.83 MAPT (0.41) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL11245874 0.83 KDR (0.50) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL6698612 0.82 IDO1 (0.44) MAPTMEN1KMT2ALMNANPC1
SCHEMBL11263943 0.82 HTT (0.46) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL11258914 0.81 HTT (0.45) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL6697641 0.79 MAOB (0.47) MAPTMEN1KMT2ALMNAHTT
SCHEMBL11250207 0.79 PLAU (0.36) MAPT
SCHEMBL11255183 0.79 KIF11 (0.49) MAPTMEN1KMT2ANPSR1LMNA
SCHEMBL20096581 0.77 EPHX1 (0.57) MAPTMEN1KMT2ANPSR1LMNA

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