SCHEMBL28796972

SCHEMBL28796972

CCCCCc1cccc([N+](=O)[O-])c1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 3/20 0.43
MCL1 Q07820 3/20 0.43
BCL2L1 Q07817 2/20 0.43
BAK1 Q16611 2/20 0.43
KAT8 Q9H7Z6 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
EP300 Q09472 1/20 0.43
KAT2A Q92830 1/20 0.43
KAT2B Q92831 1/20 0.43
KAT5 Q92993 1/20 0.43
SAE1 Q9UBE0 1/20 0.43
TDP1 Q9NUW8 3/20 0.42
PLK1 P53350 1/20 0.41
PLK3 Q9H4B4 1/20 0.41
ALDH1A1 P00352 5/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL28003051 0.98 BID (0.46) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL2244893 0.85 ALDH1A1 (0.56) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL28031451 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL6686635 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL27782985 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL27804675 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL29350218 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL6398343 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL30668793 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT
SCHEMBL6684297 0.83 ALDH1A1 (0.55) ALDH1A1TSHRLMNAGAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102603783-B Targeted malignant tumor resistance medicament and preparation method thereof ZHANG QIAONAN 2014-09-03 CN disclosed
CN-102603783-A Targeted malignant tumor resistance medicament and preparation method thereof QIAONAN ZHANG 2012-07-25 CN disclosed