SCHEMBL11274752

SCHEMBL11274752

CCc1cc(C)c(NC(=O)NC(=N)N)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
POLB P06746 1/20 0.41
HPGD P15428 1/20 0.41
ALDH1A1 P00352 2/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 2/20 0.37
LMNA P02545 1/20 0.37
MEN1 O00255 1/20 0.36
RAB9A P51151 1/20 0.36
SCN5A Q14524 2/20 0.36
CACNA1C Q13936 1/20 0.36
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2B P41595 1/20 0.35
CHRNA7 P36544 1/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
BACE1 P56817 1/20 0.33

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
SCHEMBL11313918 0.93 SCN5A (0.38) TSHRALDH1A1KMT2AMEN1RAB9A
SCHEMBL11286369 0.90 DRD2 (0.43) POLBHPGDALDH1A1MAPTKMT2A
SCHEMBL11407190 0.89 SCN5A (0.39) TSHRKMT2ALMNAMEN1RAB9A
SCHEMBL11419775 0.86 MEN1 (0.36) TSHRMAPTHTTKMT2ALMNA
SCHEMBL11440671 0.86 SCN5A (0.35) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11412554 0.86 TSHR (0.40) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11423846 0.86 SCN5A (0.40) POLBHPGDALDH1A1HTTKMT2A
SCHEMBL11059296 0.84 RAPGEF4 (0.42) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11286642 0.84 HTT (0.55) TSHRPOLBHPGDALDH1A1MAPT
SCHEMBL11408677 0.83 SCN5A (0.36) POLBALDH1A1KMT2ALMNAMEN1

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

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