SCHEMBL11445232

SCHEMBL11445232

COc1cc2c(O)c([N+](=O)[O-])c(=O)n(Cc3ccc(F)cc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.53
RXFP1 Q9HBX9 2/20 0.48
MAPT P10636 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.46
MCL1 Q07820 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SRC P12931 2/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
NOX4 Q9NPH5 1/20 0.44
TP53 P04637 2/20 0.43
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TSHR P16473 1/20 0.41
HPGD P15428 2/20 0.41
HSPD1 P10809 1/20 0.41
HSPE1 P61604 1/20 0.41

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
SCHEMBL13295323 0.82 MEN1 (0.60) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11445217 0.80 KMT2A (0.81) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6679443 0.78 TP53 (0.51) KMT2AMEN1ALDH1A1LMNASRC
SCHEMBL11445221 0.78 RXFP1 (0.50) KMT2AMEN1RXFP1MAPTALDH1A1
SCHEMBL11445861 0.77 MEN1 (0.40) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11445049 0.77 MEN1 (0.40) KMT2AMEN1RXFP1MAPTALDH1A1
SCHEMBL11445559 0.76 RXFP1 (0.40) KMT2AMEN1RXFP1MAPTALDH1A1
SCHEMBL7981572 0.75 NOX4 (0.68) KMT2AMEN1ALDH1A1L3MBTL1SRC
SCHEMBL13295326 0.72 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL11368589 0.72 CNR2 (0.56) KMT2AMEN1RXFP1MAPTLMNA

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
US-4192876-A ANTIALLERGENS SANDOZ, INC. (US) 1980-03-11 US claimed
US-4192876-A ANTIALLERGENS SANDOZ, INC. (US) 1980-03-11 US disclosed