SCHEMBL27989802

SCHEMBL27989802

CC(=O)Nc1cc(Cl)ccc1S

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.57
HSD17B10 Q99714 1/20 0.57
EPHX1 P07099 1/20 0.49
KMT2A Q03164 5/20 0.47
MEN1 O00255 4/20 0.44
ALDH1A1 P00352 3/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
MDM4 O15151 1/20 0.44
TP53 P04637 1/20 0.44
MDM2 Q00987 1/20 0.44
PTK2 Q05397 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
DYRK1A Q13627 1/20 0.43
FSCN1 Q16658 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
PDE7A Q13946 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
SCHEMBL3782005 0.82 KDM4E (0.68) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL2388970 0.81 EPHX1 (0.70) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL1249700 0.79 KCNMA1 (0.64) KDM4EHSD17B10KMT2AMEN1POLB
SCHEMBL6106176 0.79 GAA (0.63) KDM4EHSD17B10KMT2AALDH1A1POLB
SCHEMBL30296233 0.79 KDM4E (0.59) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL9403860 0.79 KDM4E (0.59) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL21214216 0.78 HDAC1 (0.47) KDM4EKMT2AMEN1ALDH1A1POLB
SCHEMBL30841749 0.78 KDM4E (0.57) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL5042574 0.78 KDM4E (0.57) KDM4EHSD17B10EPHX1KMT2AMEN1
SCHEMBL9210058 0.78 HDAC1 (0.58) KDM4EHSD17B10EPHX1KMT2AMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104311508-B Synthetic method of iron-catalyzed phenothiazine compound 苏州大学 2017-01-11 CN claimed
CN-104311508-A Synthetic method of iron-catalyzed phenothiazine compound UNIV SOOCHOW 2015-01-28 CN claimed
CN-104311508-B Synthetic method of iron-catalyzed phenothiazine compound 苏州大学 2017-01-11 CN disclosed
CN-104311508-A Synthetic method of iron-catalyzed phenothiazine compound UNIV SOOCHOW 2015-01-28 CN disclosed