SCHEMBL14433307

SCHEMBL14433307

N=C(N)c1ccc(-c2ccc(-c3ccc(C(=N)N)cn3)s2)cc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ NQO2 P16083 3/20 0.63
▸ WDR5 P61964 1/20 0.42
▸ PRMT1 Q99873 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ UBE2T Q9NPD8 1/20 0.40
▸ TOP1 P11387 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TOP2A P11388 1/20 0.39
▸ TOP2B Q02880 1/20 0.39
▸ F10 P00742 1/20 0.38
▸ LOXL2 Q9Y4K0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ APP P05067 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
SCHEMBL3788282 0.92 NQO2 (0.49) NQO2UBE2T
Hydrochloric Acid SCHEMBL3788110 0.90 NQO2 (0.47) NQO2UBE2T
SCHEMBL14507287 0.90 NQO2 (0.47) NQO2UBE2T
SCHEMBL5307850 0.84 NQO2 (0.85) NQO2WDR5PRMT1ALDH1A1TOP1
SCHEMBL3505979 0.82 NQO2 (0.81) NQO2WDR5PRMT1ALDH1A1TOP1
SCHEMBL8975475 0.81 WDR5 (0.53) NQO2WDR5PRMT1ALDH1A1UBE2T
SCHEMBL8975609 0.80 RXFP1 (0.49) NQO2WDR5PRMT1ALDH1A1UBE2T
SCHEMBL28344110 0.78 P4HA1 (0.52) WDR5PRMT1ALDH1A1UBE2THPGD
SCHEMBL14433311 0.78 NQO2 (0.41) NQO2ALDH1A1KDM4EGAAAPP
SCHEMBL5487186 0.78 NQO2 (0.41) NQO2APP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 — — US disclosed
US-7256203-B2 Dicationic 2,5-diarylfuran aza-analogs as anti-protozoan agents THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) 2007-08-14 — — US disclosed
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