SCHEMBL6748070

SCHEMBL6748070

N#Cc1ccc(-c2coc(-c3ccc(C#N)cc3)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.47
NOTUM Q6P988 1/20 0.43
KIF11 P52732 3/20 0.42
TNKS O95271 1/20 0.41
MYC P01106 1/20 0.41
CA12 O43570 2/20 0.40
CA2 P00918 2/20 0.40
CA9 Q16790 2/20 0.40
CA1 P00915 1/20 0.40
PGR P06401 1/20 0.40
CYP11B2 P19099 1/20 0.39
AR P10275 2/20 0.39
PRKDC P78527 1/20 0.37
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 1/20 0.37
CA3 P07451 1/20 0.37
CA6 P23280 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRG2 P18507 1/20 0.37

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
SCHEMBL26246 0.75 MMP3 (0.74) MMP3NOTUMKIF11CA12CA2
Water SCHEMBL11055485 0.75 MMP3 (0.74) MMP3NOTUMKIF11CA12CA2
SCHEMBL13063633 0.75 MMP3 (0.74) MMP3NOTUMKIF11CA12CA2
SCHEMBL396846 0.75 MMP3 (0.74) MMP3NOTUMKIF11CA12CA2
SCHEMBL16789941 0.73 MMP3 (0.64) MMP3NOTUMKIF11CA12CA2
SCHEMBL3611983 0.73 MMP3 (0.64) MMP3NOTUMKIF11CA12CA2
SCHEMBL6750099 0.72 GAA (0.45) TNKSCA12CA2CA9CYP2A6
Methane SCHEMBL28372042 0.72 MMP3 (0.70) MMP3NOTUMKIF11CA12CA2
SCHEMBL2901045 0.72 TSHR (0.44) NOTUMTNKSMYCCYP2A6ALDH1A1
SCHEMBL674221 0.72 CHRM2 (0.50) MMP3NOTUMTNKSCA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130019-B1 2,4-bis((4-Amidino)phenyl)furans as anti-pneumocystis carinii agents UNIV NORTH CAROLINA (US) 2004-05-06 EP disclosed
EP-0941991-B1 2,4-Bis (4-amidino)phenyl furans as anti-pneumocystis carinii agents UNIV NORTH CAROLINA (US) 2001-12-05 EP disclosed
EP-1130019-A1 2,4-bis((4-Amidino)phenyl)furans as anti-pneumocystis carinii agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2001-09-05 EP disclosed
US-6127554-A MAKING 2,4-BIS(HALO-PHENYL)FURAN COMPOUNDS BY REACTING 2,4-BIS(HALO-PHENYL),5-((HALO-PHENYL)CARBONYL)FURAN IN THE PRESENCE OF A BASE; CHEMICAL INTERMEDIATE TO SYNTHESIS OF ANTIMICROBIAL AGENT THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2000-10-03 US disclosed
JP-2000256343-A 2,4-BIS[(4-AMIDINO)PHENYL]FURAN AS ANTI-PNEUMOCYSTIS CARINI PNEUMONIC AGENT UNIV NORTH CAROLINA AT CHAPEL HILL:THE 2000-09-19 JP disclosed
US-6008247-A TREATING PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-28 US disclosed
EP-0941991-A1 2,4-Bis (4-amidino)phenyl furans as anti-pneumocystis carinii agents UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-09-15 EP disclosed