SCHEMBL8071906

SCHEMBL8071906

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
MKNK2 Q9HBH9 1/20 0.43
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
AKR1C3 P42330 9/20 0.40
AKR1C2 P52895 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 2/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL8066942 0.94 MKNK2 (0.44) ALDH1A1MKNK2KMT2AHPGDAKR1C3
SCHEMBL8071430 0.90 ALDH1A1 (0.45) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL8073234 0.89 MEN1 (0.44) ALDH1A1MKNK2KMT2AHPGDAKR1C3
SCHEMBL7823983 0.87 LMNA (0.45) ALDH1A1KMT2AHPGDAKR1C3PTGDR2
SCHEMBL7816184 0.85 CYP19A1 (0.44) ALDH1A1KMT2AHPGDMEN1HSD17B10
SCHEMBL8057450 0.85 ALDH1A1 (0.42) ALDH1A1MKNK2KMT2AHPGDAKR1C3
SCHEMBL8067007 0.84 KMT2A (0.45) ALDH1A1KMT2AHPGDAKR1C3AKR1C2
SCHEMBL8067988 0.83 MKNK2 (0.43) ALDH1A1MKNK2KMT2AHPGDAKR1C3
SCHEMBL8073462 0.82 MKNK2 (0.46) ALDH1A1MKNK2KMT2AHPGDAKR1C3
SCHEMBL7831187 0.82 CYP19A1 (0.47) ALDH1A1HPGDAKR1C3MAPTPOLB

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
US-6093714-A AN ANTIALLERGENS FOR TREATMENT AND PREVENTION OF BRONCHIAL ASTHMA, ECZEMA, HIVES, ALLERGIC GASTROINTESTINAL TROUBLES, ALLERGIC RHINITIS, ALLERGIC CONJUNCTIVITIS MEIJI SEIKA KAISHA, LTD. (JP) 2000-07-25 US disclosed
EP-0834512-A1 TRICYCLIC BENZAZEPINE COMPOUNDS MEIJI SEIKA KAISHA LTD. (JP) 1998-04-08 EP disclosed