SCHEMBL11087570

SCHEMBL11087570

Cc1cccc(C)c1N(C(=N)N)C(=O)NOCc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.44
NPC1 O15118 9/20 0.44
L3MBTL1 Q9Y468 1/20 0.38
PTGS2 P35354 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
KMT2A Q03164 1/20 0.36
P2RX7 Q99572 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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 SCHEMBL11077407 0.99 RAB9A (0.43) RAB9ANPC1L3MBTL1PTGS2SMN1; SMN2
Hydrochloric Acid SCHEMBL11074227 0.83 ALDH1A1 (0.36) KMT2A
Hydrochloric Acid SCHEMBL11557076 0.81 SMN1; SMN2 (0.44) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11562696 0.81 CYP1A2 (0.47) L3MBTL1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11085775 0.81 MAPK1 (0.34) SMN1; SMN2KMT2A
SCHEMBL11564908 0.80 HDAC3 (0.35) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A
SCHEMBL11055302 0.79 MEN1 (0.35) RAB9ANPC1KMT2ANPSR1
SCHEMBL10612763 0.79 PLAU (0.35) RAB9ANPC1KMT2ANPSR1
Hydrochloric Acid SCHEMBL11088274 0.79 GRIN2D (0.36) RAB9ANPC1L3MBTL1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL11562331 0.79 SMN1; SMN2 (0.44) RAB9ANPC1SMN1; SMN2P2RX7

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-4440949-A Amidinoureas WILLIAM H. RORER, INC. (US) 1984-04-03 US disclosed
US-4242339-A PHENYL-3-ALKOXYAMIDINOUREAS AND SALTS WILLIAM H. RORER, INC. (US) 1980-12-30 US disclosed
US-4242337-A PHENYL-3-ALKOXYAMIDINOUREA AND SALTS WILLIAM H. RORER, INC. (US) 1980-12-30 US disclosed
US-4242340-A PHENYL-3-ALKOXYAMIDINOUREAS AND SALTS WILLIAM H. RORER, INC. (US) 1980-12-30 US disclosed
US-4242338-A PHENYLCARBAMOYLAMIDINOUREA AND SALTS WILLIAM H. RORER, INC. (US) 1980-12-30 US disclosed
US-4218450-A Method for treatment of gastrointestinal spasmodic disease conditions or symptoms in mammals WILLIAM H. RORER, INC. (US) 1980-08-19 US disclosed
US-4169155-A AMIDINOUREAS WILLIAM H. RORER, INC. (US) 1979-09-25 US disclosed
US-4115647-A ANTISECRETORY, ANTISPASMODIC, ANTIULCEROGENIC, ANTIDIARRHEAL WILLIAM H. RORER, INC. (US) 1978-09-19 US disclosed
US-4058557-A Amidinoureas WILLIAM H. RORER, INC. (US) 1977-11-15 US disclosed