SCHEMBL3354155

SCHEMBL3354155

CN(C)Cc1cn(C)c2cc([N+](=O)[O-])ccc12

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 7/20 0.47
MAPT P10636 6/20 0.40
CYP1A2 P05177 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR2B P41595 1/20 0.40
HTT P42858 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3354579 0.89 MAPT (0.47) CDK2MAPTCYP1A2HTR2AHTR2C
SCHEMBL3352610 0.81 F2RL3 (0.39) MAPTCYP1A2HTTRXFP1LMNA
SCHEMBL6947081 0.80 CDK2 (0.46) CDK2MAPTCYP1A2MEN1LMNA
SCHEMBL8444605 0.78 CDK2 (0.50) CDK2MAPTCYP1A2
SCHEMBL2075237 0.76 HRH3 (0.53) CDK2MAPTMEN1LMNAKMT2A
SCHEMBL3357630 0.76 ALDH1A1 (0.53) CDK2MEN1LMNAKMT2ASMN1; SMN2
SCHEMBL3356418 0.76 HTR6 (0.54) CDK2LMNASMN1; SMN2
SCHEMBL27338595 0.76 HTR2A (0.45) CDK2MAPTHTR2AHTR2CHTR2B
SCHEMBL3355292 0.76 HTR6 (0.59) CDK2MAPTHTR2AHTR2CHTR2B
SCHEMBL6948323 0.76 CDK2 (0.48) CDK2MAPTCYP1A2HTT

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