SCHEMBL7675752

SCHEMBL7675752

CN(CCc1ccccc1)Cc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.49
KMT2A Q03164 6/20 0.49
EIF4E P06730 3/20 0.48
MAPT P10636 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
ALOX12 P18054 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.46
CSNK2A1 P68400 1/20 0.45
RAB9A P51151 2/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL7677284 0.89 MAPT (0.51) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7669303 0.88 EIF4E (0.50) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7677249 0.87 MAPT (0.48) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7672520 0.86 EIF4E (0.52) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7535129 0.84 EIF4E (0.47) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7676398 0.79 MAPT (0.62) MEN1KMT2AMAPTSMN1; SMN2CYP1A2
SCHEMBL19196240 0.77 CSNK2A1 (0.64) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7671981 0.75 MAPT (0.62) MEN1KMT2AEIF4EMAPTSMN1; SMN2
SCHEMBL7596877 0.74 ALDH1A1 (0.63) MEN1KMT2ATDP1ALDH1A1PKM
SCHEMBL3149347 0.74 ALDH1A1 (0.63) MEN1KMT2ATDP1ALDH1A1PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6380187-B2 FUNGICIDES YU DINGWEI TIM (US) 2002-04-30 US disclosed
US-6281217-B2 ANTIFUNGAL ACTIVITY AGAINST A VARIETY OF FUNGI INCLUDING STRAINS WHICH HAVE PROVEN TO BE RESISTANT TO TREATMENT WITH KNOWN ANTIFUNGAL AGENTS SUCH AS FLUCONAZOLE. YU DINGWEI TIM (US) 2001-08-28 US disclosed
US-6156776-A Diaryl substituted thiazoles useful in the treatment of fungal infections YU DINGWEI TIM (US) 2000-12-05 US disclosed