SCHEMBL8067016

SCHEMBL8067016

CCOC(=O)c1c(C(O)c2ccc(NC(C)=O)cc2[N+](=O)[O-])nnn1Cc1ccc(OC)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 2/20 0.43
AKR1C3 P42330 11/20 0.40
AKR1C2 P52895 1/20 0.39
MEN1 O00255 2/20 0.39
HSD17B10 Q99714 1/20 0.39
UCHL1 P09936 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL7816147 0.91 PTGDR2 (0.42) KMT2AALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL8067988 0.90 MKNK2 (0.43) KMT2AALDH1A1HPGDAKR1C3AKR1C2
SCHEMBL7827515 0.89 KMT2A (0.42) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL8068001 0.88 ALDH1A1 (0.43) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7826821 0.87 UCHL1 (0.40) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7827030 0.86 UCHL1 (0.42) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7827496 0.86 MAPT (0.39) KMT2AALDH1A1HPGDMEN1HSD17B10
SCHEMBL5515660 0.86 UCHL1 (0.41) KMT2AALDH1A1HPGDMEN1HSD17B10
SCHEMBL7816227 0.85 UCHL1 (0.42) ALDH1A1HPGDAKR1C3HSD17B10UCHL1
SCHEMBL7827679 0.84 UCHL1 (0.40) KMT2AALDH1A1HPGDHSD17B10UCHL1

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