SCHEMBL11057728

SCHEMBL11057728

N=C(N)NC(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.49
NPSR1 Q6W5P4 1/20 0.44
TYK2 P29597 1/20 0.44
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 2/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2B P41595 1/20 0.42
PKM P14618 1/20 0.41
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
POLB P06746 1/20 0.40
CACNA1C Q13936 1/20 0.40
SCN5A Q14524 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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 SCHEMBL11320569 0.98 CYP1A2 (0.47) CYP1A2NPSR1TYK2MEN1KMT2A
SCHEMBL11316248 0.89 CYP1A2 (0.43) CYP1A2NPSR1TYK2MEN1KMT2A
SCHEMBL7168272 0.89 DRD2 (0.55) CYP1A2NPSR1DRD2HTR2AHTR2B
SCHEMBL11056409 0.89 KMT2A (0.47) CYP1A2NPSR1TYK2MEN1KMT2A
Hydrochloric Acid SCHEMBL10947952 0.88 PKM (0.56) CYP1A2NPSR1DRD2HTR2AHTR2B
SCHEMBL10940738 0.86 CACNA1C (0.56) CYP1A2NPSR1DRD2HTR2AHTR2B
SCHEMBL11431335 0.86 L3MBTL1 (0.47) CYP1A2TYK2MEN1KMT2APDK1
SCHEMBL11436778 0.85 ATM (0.47) CYP1A2NPSR1MEN1KMT2APOLB
SCHEMBL11055496 0.85 CXCL8 (0.46) KMT2ALMNA
SCHEMBL11429446 0.84 CYP1A2 (0.39) CYP1A2NPSR1MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0073276-A1 A method of increasing the feed efficiency of animals, and compositions for use in such a method RORER INTERNATIONAL (OVERSEAS) INC. (US) 1983-03-09 EP claimed
WO-1983000624-A1 PROMOTION OF FEED EFFICIENCY IN ANIMALS CHOU, BILLY, JA-RAY 1983-03-03 WO claimed
US-4283555-A Amidinoureas WILLIAM H. RORER, INC. (US) 1981-08-11 US claimed
US-4219567-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1980-08-26 US claimed
US-4183956-A Method for treating gastrointestinal spasms, gastrointestinal hyperacidity and hypertensive disorders with amidinoureas WILLIAM H. RORER, INC. (US) 1980-01-15 US claimed
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-4283555-A Amidinoureas WILLIAM H. RORER, INC. (US) 1981-08-11 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-4219567-A ANTIULCER AGENTS WILLIAM H. RORER, INC. (US) 1980-08-26 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-4060635-A Amidinoureas for treating diarrhea WILLIAM H. RORER, INC. (US) 1977-11-29 US disclosed