SCHEMBL6896027

SCHEMBL6896027

CCCC[Sn](CCCC)(CCCC)c1cn2cnc(CC=NOCc3ccc([N+](=O)[O-])cc3)c2s1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
KMT2A Q03164 4/20 0.35
MEN1 O00255 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
MAPK1 P28482 1/20 0.33
NPC1 O15118 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6890913 0.86 HDAC3 (0.39) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6890916 0.86 HDAC3 (0.39) ALDH1A1KMT2AMEN1MAPTLMNA
SCHEMBL6893539 0.79 L3MBTL1 (0.37) ALDH1A1KMT2AMEN1MAPTHDAC1
SCHEMBL6896032 0.79 KMT2A (0.35) ALDH1A1KMT2AMEN1LMNASMN1; SMN2
SCHEMBL6897134 0.74 CA1 (0.39) KMT2AMEN1LMNANPC1SMN1; SMN2
SCHEMBL6896021 0.73 MEN1 (0.33) ALDH1A1KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL6895016 0.73 L3MBTL1 (0.36) ALDH1A1KMT2AMEN1MAPTHDAC1
SCHEMBL7118650 0.73 L3MBTL1 (0.37) ALDH1A1KMT2AMEN1MAPTHDAC1
SCHEMBL6624714 0.72 DPP8 (0.38) ALDH1A1KMT2AMEN1MAPTHDAC3
SCHEMBL5231403 0.72 PRCP (0.37) ALDH1A1KMT2AMAPTLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6677331-B2 HAVING SUBSTITUTED IMIDAZO(5,1-B)THIAZOLE GROUP AT 2-POSITION; MICROBIOCIDES AGAINST BETA-LACTAMASE PRODUCING BACTERIA AND RESISTANT PSEUDOMONAS MEIJI SEIKA KAISHA, LTD. (JP) 2004-01-13 US disclosed