SCHEMBL1552966

SCHEMBL1552966

O=[N+]([O-])c1ccccc1N(Br)Cc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
ALDH1A1 P00352 6/20 0.46
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NR1D1 P20393 1/20 0.42
AR P10275 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 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
SCHEMBL30936706 0.80 MAPT (0.59) KMT2AMEN1ALDH1A1CRHBPCRHR2
SCHEMBL28614673 0.78 MAPT (0.50) KMT2AMEN1ALDH1A1L3MBTL1MAPK1
SCHEMBL7833774 0.76 HSD17B10 (0.48) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL28096884 0.76 CYP1A2 (0.46) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL28196510 0.75 HSD17B10 (0.42) KMT2AMEN1ALDH1A1TDP1LMNA
SCHEMBL7741213 0.75 KMT2A (0.45) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL27758107 0.74 MAPT (0.42) KMT2AMEN1ALDH1A1TDP1MAPK1
SCHEMBL27943657 0.74 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1TDP1L3MBTL1
SCHEMBL3960771 0.73 KMT2A (0.53) KMT2AMEN1ALDH1A1TDP1AR
SCHEMBL13729336 0.73 KDM4E (0.48) KMT2AMEN1ALDH1A1L3MBTL1CRHBP

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-1951724-B1 FUSED BICYCLIC mTOR INHIBITORS OSI PHARM INC (US) 2011-04-27 EP disclosed