SCHEMBL7826727

SCHEMBL7826727

O=C(COc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
KMT2A Q03164 5/20 0.38
SLC2A1 P11166 1/20 0.35
MEN1 O00255 4/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
POLB P06746 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHEK1 O14757 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL7816507 0.90 POLB (0.45) CA12CA9KMT2AMEN1KDM4E
SCHEMBL7824709 0.84 PDE2A (0.41) KMT2ASMN1; SMN2KDM4EMAPTL3MBTL1
SCHEMBL7826811 0.83 ALDH1A1 (0.40) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7831628 0.83 ALK (0.38) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL7827951 0.82 DYRK1A (0.44) KDM4EMAPTLMNAL3MBTL1POLB
SCHEMBL7823420 0.82 DYRK1A (0.44) KMT2AMEN1SMN1; SMN2KDM4EMAPT
SCHEMBL7831004 0.79 SMN1; SMN2 (0.44) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL8069105 0.79 POLB (0.42) KMT2AMEN1NPC1RAB9AKDM4E
SCHEMBL7827211 0.79 HSD17B10 (0.51) KMT2AMEN1NPC1KDM4EMAPT
SCHEMBL7832144 0.77 CTSV (0.42) KMT2AMEN1SMN1; SMN2POLBALDH1A1

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-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed