SCHEMBL11286642

SCHEMBL11286642

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

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.55
TSHR P16473 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 1/20 0.54
KMT2A Q03164 3/20 0.52
LMNA P02545 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
POLB P06746 2/20 0.50
HPGD P15428 1/20 0.50
MEN1 O00255 2/20 0.48
RAB9A P51151 1/20 0.48
RAPGEF4 Q8WZA2 1/20 0.39

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
SCHEMBL11309137 0.92 HTT (0.44) HTTTSHRALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL11320629 0.91 HTT (0.43) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11053001 0.89 ALDH1A1 (0.50) ALDH1A1KMT2ALMNAPOLBHPGD
SCHEMBL11279723 0.88 HTT (0.42) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11059296 0.88 RAPGEF4 (0.42) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL10732669 0.87 HTT (0.40) HTTTSHRALDH1A1MAPTKMT2A
Hydrochloric Acid SCHEMBL11414461 0.87 RAPGEF4 (0.41) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11436815 0.85 HTT (0.40) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11278607 0.85 HTT (0.39) HTTTSHRALDH1A1MAPTKMT2A
SCHEMBL11420739 0.85 ALDH1A1 (0.44) HTTTSHRALDH1A1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4216229-A 1-AMIDINO-3-PHENYLUREAS WILLIAM H. RORER, INC. (US) 1980-08-05 US claimed
US-4216230-A Method for alleviating hypertension with amidinoureas WILLIAM H. RORER, INC. (US) 1980-08-05 US claimed
US-4150154-A GASTROINTESTINAL ANTISPASMODICS WILLIAM H. RORER, INC. (US) 1979-04-17 US claimed
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