SCHEMBL7669303

SCHEMBL7669303

CN(C)CCc1ccc(-c2csc(-c3cccc([N+](=O)[O-])c3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EIF4E P06730 2/20 0.50
MAPT P10636 8/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
RAB9A P51151 4/20 0.48
MAPK1 P28482 1/20 0.48
MAOA P21397 7/20 0.46
MAOB P27338 7/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX12 P18054 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CSNK2A1 P68400 1/20 0.45
ALDH1A1 P00352 4/20 0.45

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
SCHEMBL7672520 0.89 EIF4E (0.52) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7675752 0.88 MEN1 (0.49) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7677284 0.85 MAPT (0.51) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7677249 0.82 MAPT (0.48) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7535129 0.81 EIF4E (0.47) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7671981 0.77 MAPT (0.62) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL19196240 0.77 CSNK2A1 (0.64) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7671467 0.75 KDM4E (0.60) MAPTMEN1KMT2ARAB9ASMN1; SMN2
SCHEMBL6198481 0.75 KMO (0.64) EIF4EMAPTMEN1KMT2ARAB9A
SCHEMBL7532579 0.75 HSD17B1 (0.72) EIF4EMAPTMEN1KMT2ARAB9A

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-6277873-B1 CONTROLLING DRUG RESISTANT FUNGI YU DINGWEI TIM (US) 2001-08-21 US disclosed