SCHEMBL7828589

SCHEMBL7828589

COc1ccc(Cn2nnc(C(=O)O)c2C(=O)c2c(C)cccc2[N+](=O)[O-])cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DCTPP1 Q9H773 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
AKR1C3 P42330 9/20 0.44
ALOX15 P16050 1/20 0.41
AKR1C2 P52895 1/20 0.41
PTGER4 P35408 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 2/20 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
SCHEMBL7827167 0.93 DCTPP1 (0.45) DCTPP1L3MBTL1TDP1AKR1C3ALOX15
SCHEMBL7827410 0.90 CYP19A1 (0.43) DCTPP1L3MBTL1AKR1C3ALOX15POLB
SCHEMBL7828209 0.86 DCTPP1 (0.43) DCTPP1L3MBTL1AKR1C3ALOX15POLB
SCHEMBL7830851 0.86 HPGD (0.50) DCTPP1L3MBTL1AKR1C3ALOX15PTGER4
SCHEMBL7831794 0.85 HPGD (0.52) DCTPP1L3MBTL1AKR1C3ALOX15AKR1C2
SCHEMBL7829292 0.85 ALOX15 (0.42) DCTPP1L3MBTL1AKR1C3ALOX15PTGER4
SCHEMBL7823265 0.85 ALOX15 (0.48) L3MBTL1AKR1C3ALOX15AKR1C2POLB
SCHEMBL7816277 0.83 POLB (0.43) DCTPP1L3MBTL1TDP1AKR1C3ALOX15
SCHEMBL7825463 0.82 ALOX15 (0.42) DCTPP1L3MBTL1TDP1AKR1C3ALOX15
SCHEMBL7830535 0.81 ALOX15 (0.41) DCTPP1L3MBTL1TDP1AKR1C3ALOX15

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 3 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-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