SCHEMBL8068983

SCHEMBL8068983

CCOC(=O)c1c(C(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nnn1Cc1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPK1 P28482 1/20 0.51
CYP19A1 P11511 1/20 0.47
UCHL1 P09936 1/20 0.44
MAPT P10636 7/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
RECQL P46063 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TP53 P04637 1/20 0.41
KDM4E B2RXH2 4/20 0.41
THRB P10828 1/20 0.41
POLB P06746 1/20 0.41
HTT P42858 2/20 0.40
MITF O75030 1/20 0.40
HPGD P15428 1/20 0.39
GAA P10253 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
SCHEMBL8071577 0.93 CYP19A1 (0.49) ALDH1A1MEN1KMT2AMAPK1CYP19A1
SCHEMBL7830785 0.88 UCHL1 (0.46) ALDH1A1MEN1KMT2AMAPK1CYP19A1
SCHEMBL8073852 0.87 CYP19A1 (0.51) ALDH1A1MEN1KMT2ACYP19A1UCHL1
SCHEMBL5513825 0.87 UCHL1 (0.45) ALDH1A1MEN1KMT2ACYP19A1UCHL1
SCHEMBL7816327 0.86 UCHL1 (0.44) ALDH1A1MEN1KMT2AMAPK1CYP19A1
SCHEMBL7824695 0.86 UCHL1 (0.44) ALDH1A1MEN1KMT2ACYP19A1UCHL1
SCHEMBL7822742 0.85 SMN1; SMN2 (0.43) ALDH1A1MEN1KMT2AMAPK1CYP19A1
SCHEMBL7815891 0.85 HPGD (0.47) ALDH1A1CYP19A1UCHL1MAPTSMN1; SMN2
SCHEMBL7822813 0.84 MAOB (0.45) ALDH1A1MEN1KMT2AMAPK1CYP19A1
SCHEMBL8069034 0.84 MEN1 (0.47) ALDH1A1MEN1KMT2AMAPK1CYP19A1

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