SCHEMBL11831710

SCHEMBL11831710

CNC(=O)Nc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2C)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.50
MEN1 O00255 9/20 0.50
GAA P10253 3/20 0.50
PKM P14618 1/20 0.50
MAPT P10636 9/20 0.49
LMNA P02545 4/20 0.49
MAPK1 P28482 4/20 0.49
ALDH1A1 P00352 3/20 0.49
HTT P42858 2/20 0.49
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 2/20 0.47
XBP1 P17861 1/20 0.47
CCR6 P51684 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TBXA2R P21731 2/20 0.43
POLB P06746 2/20 0.43
BLM P54132 1/20 0.43
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42
CA12 O43570 1/20 0.42

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
SCHEMBL11832824 0.91 KMT2A (0.61) KMT2AMEN1GAAPKMMAPT
SCHEMBL11827890 0.86 KMT2A (0.58) KMT2AMEN1GAAPKMMAPT
SCHEMBL11836808 0.86 MEN1 (0.42) KMT2AMEN1GAAPKMMAPT
SCHEMBL11842234 0.83 MEN1 (0.57) KMT2AMEN1GAAPKMMAPT
SCHEMBL11832700 0.82 MEN1 (0.59) KMT2AMEN1GAAPKMMAPT
SCHEMBL11842340 0.81 KMT2A (0.42) KMT2AMEN1GAAPKMMAPT
SCHEMBL11827269 0.81 MEN1 (0.63) KMT2AMEN1GAAPKMMAPT
SCHEMBL11832770 0.79 KMT2A (0.57) KMT2AMEN1GAAPKMMAPT
SCHEMBL11839070 0.79 KMT2A (0.57) KMT2AMEN1GAAPKMMAPT
SCHEMBL11836660 0.77 KMT2A (0.55) KMT2AMEN1GAAPKMMAPT

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
US-3933814-A ANTIPROTOZOA, ANTICOCCIDIOSIS BAYER AKTIENGESELLSCHAFT (DT) 1976-01-20 US disclosed