SCHEMBL11056409

SCHEMBL11056409

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
BACE1 P56817 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
MEN1 O00255 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
CNR1 P21554 1/20 0.39
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2B P41595 1/20 0.38
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38

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
SCHEMBL11057728 0.89 CYP1A2 (0.49) KMT2ACYP1A2MEN1NPSR1DRD2
SCHEMBL11049556 0.89 KMT2A (0.54) KMT2ACA12CA1CA2CA9
Hydrochloric Acid SCHEMBL11320569 0.87 CYP1A2 (0.47) KMT2ACYP1A2MEN1NPSR1DRD2
SCHEMBL11274193 0.84 BACE1 (0.42) KMT2ACA12CA1CA2CA9
SCHEMBL11884423 0.84 BACE1 (0.46) KMT2ACA12CA1CA2CA9
SCHEMBL11431335 0.82 L3MBTL1 (0.47) KMT2ACA1CA2CA9CYP1A2
SCHEMBL11054398 0.82 KMT2A (0.45) KMT2ACA12CA1CA2CA9
SCHEMBL11307694 0.82 KMT2A (0.44) KMT2ACA12CA1CA2CA9
SCHEMBL11090448 0.82 GAA (0.43) KMT2ACA12CA1CA2CA9
SCHEMBL11316248 0.82 CYP1A2 (0.43) KMT2ACYP1A2MEN1NPSR1DRD2

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 11 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-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