SCHEMBL11279846

SCHEMBL11279846

Cc1cc(C)c(NC(=O)NC(=N)N)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
RAPGEF4 Q8WZA2 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
PKM P14618 1/20 0.37
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL11053001 0.89 ALDH1A1 (0.50) LMNAMEN1KMT2AALDH1A1DRD2
SCHEMBL11055420 0.88 RAPGEF4 (0.40) RAPGEF4MEN1KMT2AALDH1A1DRD2
SCHEMBL11419360 0.85 ALDH1A1 (0.40) MEN1KMT2AALDH1A1DRD2HTR2A
SCHEMBL11412576 0.85 NPC1 (0.38) LMNAMEN1KMT2AALDH1A1DRD2
SCHEMBL11436815 0.85 HTT (0.40) LMNAMEN1KMT2AALDH1A1DRD2
SCHEMBL11409212 0.84 RAPGEF4 (0.42) LMNARAPGEF4ALDH1A1F2F10
SCHEMBL11408677 0.84 SCN5A (0.36) LMNAMEN1KMT2AALDH1A1DRD2
SCHEMBL11268305 0.83 DRD2 (0.44) LMNAMEN1KMT2AALDH1A1DRD2
SCHEMBL11142524 0.82 KDM4E (0.41) LMNARAPGEF4KMT2AALDH1A1GAA
SCHEMBL11286642 0.82 HTT (0.55) LMNARAPGEF4MEN1KMT2AALDH1A1

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-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-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US disclosed
US-4150154-A GASTROINTESTINAL ANTISPASMODICS WILLIAM H. RORER, INC. (US) 1979-04-17 US disclosed
US-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed