SCHEMBL11268006

SCHEMBL11268006

CCc1cc(F)cc(F)c1NC(=O)NC(=N)N

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 4/20 0.41
CACNA1C Q13936 3/20 0.40
PKM P14618 2/20 0.38
KMT2A Q03164 2/20 0.37
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
FUCA1 P04066 1/20 0.33
RIPK1 Q13546 3/20 0.32
MEN1 O00255 1/20 0.32
HTT P42858 1/20 0.31

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
SCHEMBL11056054 0.93 SCN5A (0.46) SCN5ACACNA1CPKMKMT2AMAPT
SCHEMBL11406674 0.88 PKM (0.34) SCN5ACACNA1CPKMKMT2AMAPT
SCHEMBL11407236 0.87 SCN5A (0.41) SCN5ACACNA1CPKMKMT2AMAPT
SCHEMBL11274549 0.86 SCN5A (0.40) SCN5ACACNA1CPKMKMT2AMAPT
SCHEMBL11265596 0.86 SCN5A (0.38) SCN5ACACNA1CPKMKMT2AMAPT
SCHEMBL11270002 0.86 SCN5A (0.38) SCN5ACACNA1CPKMKMT2AMAPT
SCHEMBL11139066 0.84 MAPT (0.41) SCN5APKMKMT2AMAPTALDH1A1
SCHEMBL11055420 0.82 RAPGEF4 (0.40) PKMKMT2AMAPTSMN1; SMN2ALDH1A1
SCHEMBL11419373 0.82 SCN5A (0.34) SCN5ACACNA1CPKMMAPTSMN1; SMN2
SCHEMBL11051286 0.80 CACNA1C (0.56) SCN5ACACNA1CPKMKMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4326075-A ANTIDIARRHEA AGENTS WILLIAM H. RORER, INC. (US) 1982-04-20 US disclosed
US-4216229-A 1-AMIDINO-3-PHENYLUREAS WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4216230-A Method for alleviating hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-08-05 US disclosed
US-4203920-A ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1980-05-20 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed