SCHEMBL3352886

SCHEMBL3352886

COCCn1cc(Cl)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.42
LMNA P02545 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
F2RL3 Q96RI0 2/20 0.41
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
CYP1A2 P05177 2/20 0.40
NPC1 O15118 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
RAB9A P51151 1/20 0.40
ASH1L Q9NR48 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 3/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.38

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
SCHEMBL31735677 0.90 F2RL3 (0.46) MAPTLMNATDP1F2RL3KMT2A
SCHEMBL3352477 0.82 ALDH1A1 (0.52) MAPTLMNATDP1F2RL3KMT2A
SCHEMBL3354060 0.81 CNR2 (0.47) MAPTKMT2ACNR2ALDH1A1
SCHEMBL3352610 0.81 F2RL3 (0.39) MAPTLMNATDP1F2RL3KMT2A
SCHEMBL3354062 0.80 KMT2A (0.41) MAPTF2RL3KMT2ASMN1; SMN2ASH1L
SCHEMBL3353415 0.79 HTR7 (0.51) MAPTLMNAKMT2ASMN1; SMN2CYP2D6
SCHEMBL3356042 0.78 CACNB4 (0.52) LMNAKMT2ASMN1; SMN2CYP2D6HTT
SCHEMBL3354509 0.77 CACNB4 (0.54) LMNATDP1KMT2ASMN1; SMN2CYP2D6
SCHEMBL3351079 0.77 HTR6 (0.48) MAPTSMN1; SMN2HPGDHTTALDH1A1
SCHEMBL3351946 0.77 DYRK1A (0.38) KMT2AASH1LCNR2

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
EP-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 EP disclosed