SCHEMBL8329121

SCHEMBL8329121

COc1ccc(Cl)cc1NNc1cc(Cl)ccc1OC

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.61
MEN1 O00255 3/20 0.61
ALDH1A1 P00352 5/20 0.56
TP53 P04637 1/20 0.54
LMNA P02545 2/20 0.53
POLB P06746 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
NPSR1 Q6W5P4 1/20 0.50
GAA P10253 1/20 0.50
TSHR P16473 2/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL23565733 0.87 KMT2A (0.61) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL9227908 0.85 KMT2A (0.59) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL20984330 0.84 KMT2A (0.62) KMT2AMEN1ALDH1A1POLBCYP1A2
SCHEMBL5756345 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL20083930 0.83 KMT2A (0.57) KMT2AMEN1ALDH1A1TP53LMNA
Bromide SCHEMBL20984137 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL21965772 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53LMNA
Hydrochloric Acid SCHEMBL966892 0.82 KMT2A (0.56) KMT2AMEN1ALDH1A1TP53LMNA
SCHEMBL20984584 0.81 KMT2A (0.55) KMT2AMEN1ALDH1A1TP53POLB
SCHEMBL10517796 0.81 KMT2A (0.51) KMT2AMEN1ALDH1A1TP53LMNA

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-5874443-A BIOSYNTHESIS TREGA BIOSCIENCES, INC. (US) 1999-02-23 US disclosed
US-4075198-A PROCESS FOR MANUFACTURE OF BENZIDINE PIGMENTS COLOUR-CHEM LTD. (IN) 1978-02-21 US disclosed