SCHEMBL16620979

SCHEMBL16620979

NC(=O)c1ccccc1-c1cc([N+](=O)[O-])ccc1Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
RORC P51449 5/20 0.49
MEN1 O00255 5/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TSHR P16473 2/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
MAPK1 P28482 1/20 0.49
PPARG P37231 1/20 0.49
THPO P40225 1/20 0.49
MTOR P42345 1/20 0.49
PMP22 Q01453 1/20 0.49

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
SCHEMBL8914718 0.82 PTPRC (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL10752700 0.81 ALDH1A1 (0.51) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL1789120 0.80 KMT2A (0.75) KMT2ARORCMEN1CYP1A2CYP3A4
SCHEMBL4238940 0.79 KDM4E (0.52) KMT2AMEN1SMN1; SMN2TP53MAPT
Dinitrophenylene SCHEMBL27563939 0.78 KMT2A (0.67) KMT2ARORCMEN1CYP1A2CYP3A4
SCHEMBL27958260 0.78 KMT2A (0.58) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL9457556 0.77 BCAT2 (0.62) KMT2AMEN1CYP1A2CYP3A4CYP2C9
Aklomide SCHEMBL29637033 0.77 KMT2A (1.00) KMT2AMEN1CYP1A2CYP3A4CYP2C9
Aklomide SCHEMBL328368 0.77 KMT2A (1.00) KMT2AMEN1CYP1A2CYP3A4CYP2C9
SCHEMBL7256623 0.77 BCAT2 (0.57) KMT2AMEN1SMN1; SMN2TSHRLMNA

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
EP-3052617-A1 REPROGRAMMING OF PLURIPOTENT STEM CELLS FOR IMPROVED CONTROL OF THEIR DIFFERENTIATION PATHWAYS ETH Zurich (CH) 2016-08-10 EP disclosed
WO-2015049342-A1 REPROGRAMMING OF PLURIPOTENT STEM CELLS FOR IMPROVED CONTROL OF THEIR DIFFERENTIATION PATHWAYS ETH ZURICH (CH) 2015-04-09 WO disclosed