SCHEMBL8067007

SCHEMBL8067007

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
ALDH1A1 P00352 4/20 0.45
HPGD P15428 3/20 0.45
AKR1C3 P42330 10/20 0.42
MEN1 O00255 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MAPT P10636 1/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
MAPK1 P28482 1/20 0.41
AKR1C2 P52895 1/20 0.40
GALR2 O43603 1/20 0.40
MITF O75030 1/20 0.40
POLB P06746 1/20 0.40
HSP90AA1 P07900 1/20 0.40
XBP1 P17861 1/20 0.40
CCR6 P51684 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
UCHL1 P09936 1/20 0.40

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
SCHEMBL8071430 0.94 ALDH1A1 (0.45) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7816556 0.91 LMNA (0.44) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL8066942 0.90 MKNK2 (0.44) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7822742 0.88 SMN1; SMN2 (0.43) KMT2AALDH1A1HPGDMEN1HSD17B10
SCHEMBL8071742 0.88 MEN1 (0.47) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7817355 0.87 UCHL1 (0.41) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7830785 0.86 UCHL1 (0.46) KMT2AALDH1A1HPGDMEN1HSD17B10
SCHEMBL7815891 0.86 HPGD (0.47) ALDH1A1HPGDAKR1C3MAPTLMNA
SCHEMBL7823983 0.85 LMNA (0.45) KMT2AALDH1A1HPGDAKR1C3MEN1
SCHEMBL7817289 0.85 UCHL1 (0.41) KMT2AALDH1A1HPGDMEN1HSD17B10

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