SCHEMBL11268626

SCHEMBL11268626

N=C(NC(N)=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.59
MEN1 O00255 6/20 0.59
NPC1 O15118 4/20 0.54
POLB P06746 4/20 0.54
RAB9A P51151 3/20 0.54
MITF O75030 2/20 0.54
TGM2 P21980 1/20 0.51
F10 P00742 1/20 0.51
PLAU P00749 1/20 0.51
PLAT P00750 1/20 0.51
MAPT P10636 5/20 0.50
MAPK1 P28482 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
NAMPT P43490 1/20 0.50
GAA P10253 1/20 0.50
MYOC Q99972 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 2/20 0.49
ALDH1A1 P00352 2/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL1740901 0.89 KMT2A (0.56) KMT2AMEN1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL21645347 0.87 KMT2A (0.54) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL16470335 0.84 KMT2A (0.68) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL1102071 0.83 KMT2A (0.71) KMT2AMEN1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL15527542 0.83 KMT2A (0.66) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL11582992 0.82 POLB (0.63) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL1740370 0.81 KMT2A (0.63) KMT2AMEN1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL27491393 0.81 KMT2A (0.69) KMT2AMEN1NPC1POLBRAB9A
SCHEMBL11137991 0.81 MEN1 (0.69) KMT2AMEN1NPC1POLBRAB9A
Hydrochloric Acid SCHEMBL7258086 0.80 KMT2A (0.61) KMT2AMEN1NPC1POLBRAB9A

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
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
US-4088785-A HYPOTENSIVE AGENTS WILLIAM H. RORER, INC. (US) 1978-05-09 US disclosed