SCHEMBL7672537

SCHEMBL7672537

CCCN(CCC)Cc1ccc(-c2csc(-c3ccc([N+](=O)[O-])cc3)n2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.64
RAB9A P51151 7/20 0.64
MEN1 O00255 3/20 0.64
KMT2A Q03164 3/20 0.64
MAPK1 P28482 1/20 0.64
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX12 P18054 1/20 0.49
CYP2C19 P33261 1/20 0.49
HTT P42858 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.49
ATP4A P20648 5/20 0.48
ATP4B P51164 5/20 0.48
GAA P10253 2/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7676398 0.90 MAPT (0.62) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL7671981 0.85 MAPT (0.62) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL7676395 0.83 MAPT (0.54) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL1206139 0.81 HRH3 (0.58) MAPTCYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7677284 0.80 MAPT (0.51) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL7678096 0.79 MAPT (0.54) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL28521847 0.79 MAPT (0.65) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL7231705 0.78 PYCR1 (0.55) MAPTLMNACYP1A2CYP2C9CYP2C19
SCHEMBL14551142 0.77 MAPT (0.73) MAPTRAB9AMEN1KMT2AMAPK1
SCHEMBL7083568 0.77 RAB9A (0.63) MAPTRAB9AMEN1KMT2AMAPK1

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