SCHEMBL6750104

SCHEMBL6750104

Cc1oc(-c2ccc(C(=N)N)cc2)c(C)c1-c1ccc(C(=N)N)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 9/20 0.72
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ PRMT1 Q99873 2/20 0.49
▸ TOP1 P11387 1/20 0.49
▸ CASP1 P29466 1/20 0.49
▸ CASP7 P55210 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ TOP2A P11388 1/20 0.47
▸ TOP2B Q02880 1/20 0.47
▸ WDR5 P61964 1/20 0.43
▸ PRMT5 O14744 1/20 0.40
▸ CYP2C19 P33261 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
SCHEMBL549141 0.84 NQO2 (1.00) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL13573621 0.77 NQO2 (0.83) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL13575267 0.74 NQO2 (0.78) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL27639231 0.71 NQO2 (0.64) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL8973288 0.69 WDR5 (0.80) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL394218 0.69 WDR5 (0.80) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL12461484 0.68 WDR5 (0.64) NQO2ALDH1A1HPGDHSD17B10PRMT1
Furamidine SCHEMBL549198 0.66 NQO2 (1.00) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL537030 0.66 LMNA (0.77) NQO2ALDH1A1HPGDHSD17B10PRMT1
SCHEMBL4357250 0.65 NQO2 (0.96) NQO2ALDH1A1HPGDHSD17B10PRMT1

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
EP-0941991-B1 2,4-Bis (4-amidino)phenyl furans as anti-pneumocystis carinii agents UNIV NORTH CAROLINA (US) 2001-12-05 — — EP claimed
US-6008247-A TREATING PNEUMONIA THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 1999-12-28 — — US claimed
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 claimed
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
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
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