SCHEMBL7827738

SCHEMBL7827738

COc1ccc(Cn2nnc(C(=O)c3cc(C)c(C)cc3[N+](=O)[O-])c2C(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 1/20 0.41
AKR1C3 P42330 7/20 0.41
MAPT P10636 2/20 0.41
POLB P06746 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
DCTPP1 Q9H773 1/20 0.40
MEN1 O00255 2/20 0.39
MAPK1 P28482 1/20 0.39
PDE8B O95263 1/20 0.39
PTGER4 P35408 1/20 0.39

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
SCHEMBL7827135 0.94 POLB (0.43) ALOX15L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7829292 0.92 ALOX15 (0.42) ALOX15L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL5519562 0.90 LMNA (0.47) ALOX15L3MBTL1ALDH1A1HPGDAKR1C3
SCHEMBL7830785 0.90 UCHL1 (0.46) ALOX15L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7827258 0.90 ALOX15 (0.42) ALOX15L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7815954 0.87 HPGD (0.50) ALOX15L3MBTL1ALDH1A1HPGDAKR1C3
SCHEMBL7824446 0.87 SMN1; SMN2 (0.41) ALOX15L3MBTL1KMT2AHPGDAKR1C3
SCHEMBL7827810 0.86 ALOX15 (0.39) ALOX15L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7831313 0.86 SMN1; SMN2 (0.45) ALOX15L3MBTL1ALDH1A1KMT2AHPGD
SCHEMBL7816277 0.86 POLB (0.43) ALOX15L3MBTL1ALDH1A1KMT2AHPGD

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
EP-0686636-B1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA CO (JP) 2001-04-04 EP disclosed
US-5840895-A INTERMEDIATES FOR ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1998-11-24 US disclosed
US-5686442-A ANTIALLERGENS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-11-11 US disclosed
EP-0686636-A1 TRICYCLIC BENZAZEPINE AND BENZOTHIAZEPINE DERIVATIVES MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-12-13 EP disclosed