SCHEMBL11057754

SCHEMBL11057754

CNC(=N)NC(=O)Nc1ccccc1C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.63
RAB9A P51151 5/20 0.55
NPC1 O15118 4/20 0.55
ALDH1A1 P00352 3/20 0.53
HPGD P15428 2/20 0.53
DDX3X O00571 2/20 0.53
RECQL P46063 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ITGB3 P05106 2/20 0.51
ITGAV P06756 2/20 0.51
ITGB1 P05556 1/20 0.51
ITGA5 P08648 1/20 0.51
MAPT P10636 3/20 0.49
TP53 P04637 1/20 0.49
GAA P10253 1/20 0.49
ALOX15 P16050 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
EPHX1 P07099 1/20 0.49
MEN1 O00255 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
Hydrochloric Acid SCHEMBL11434395 0.98 POLB (0.61) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL11265570 0.84 NPC1 (0.50) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL11072682 0.83 POLB (0.58) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL8369698 0.82 ALDH1A1 (0.76) POLBRAB9ANPC1ALDH1A1HPGD
Hydrochloric Acid SCHEMBL11441061 0.81 POLB (0.56) POLBRAB9ANPC1ALDH1A1HPGD
Lidamidine SCHEMBL122710 0.81 POLB (0.58) POLBRAB9AALDH1A1SMN1; SMN2MAPT
SCHEMBL11057694 0.81 POLB (0.75) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL11276107 0.81 POLB (0.55) POLBRAB9ANPC1ALDH1A1HPGD
SCHEMBL11055252 0.81 POLB (0.54) POLBALDH1A1RECQLSMN1; SMN2MAPT
Lidamidine SCHEMBL637088 0.80 PKM (0.58) POLBRAB9AALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4452980-A DIARRHEA WILLIAM H. RORER, INC. (US) 1984-06-05 US disclosed
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4246409-A ANTIDIARRHEAL AGENTS WILLIAM H. RORER, INC. (US) 1981-01-20 US disclosed
US-4225315-A Triazinones from amidinoureas WILLIAM H. RORER, INC. (US) 1980-09-30 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed