SCHEMBL7831004

SCHEMBL7831004

COc1ccccc1C(=O)COc1ccc2c(=O)c3[nH]nnc3c(=O)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
CTNNB1 P35222 2/20 0.40
WNT3A P56704 2/20 0.40
L3MBTL1 Q9Y468 4/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CASP3 P42574 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
ABCG2 Q9UNQ0 2/20 0.38
KMT2A Q03164 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 2/20 0.37
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 0.35
HTT P42858 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL7816177 0.93 SMN1; SMN2 (0.44) SMN1; SMN2LMNACTNNB1WNT3AL3MBTL1
SCHEMBL7816507 0.85 POLB (0.45) LMNAL3MBTL1KMT2AMAPTMEN1
SCHEMBL7823420 0.83 DYRK1A (0.44) SMN1; SMN2KMT2AMAPTMEN1ALDH1A1
SCHEMBL7826811 0.82 ALDH1A1 (0.40) SMN1; SMN2LMNANPC1RAB9AKMT2A
SCHEMBL7824709 0.81 PDE2A (0.41) SMN1; SMN2L3MBTL1KMT2AMAPTALDH1A1
SCHEMBL7831628 0.80 ALK (0.38) SMN1; SMN2NPC1RAB9AKMT2AMAPT
SCHEMBL7826727 0.79 CA12 (0.42) SMN1; SMN2LMNAL3MBTL1NPC1RAB9A
SCHEMBL7826292 0.79 KDM4E (0.47) SMN1; SMN2LMNANPC1ABCG2KMT2A
SCHEMBL7827211 0.78 HSD17B10 (0.51) NPC1KMT2AMAPTMEN1ALDH1A1
SCHEMBL7832144 0.78 CTSV (0.42) SMN1; SMN2KMT2AMEN1ALDH1A1

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