SCHEMBL8071577

SCHEMBL8071577

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc2c(cc1[N+](=O)[O-])OCO2

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.49
ALDH1A1 P00352 6/20 0.48
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAPK1 P28482 1/20 0.48
UCHL1 P09936 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
MITF O75030 1/20 0.41
MAPT P10636 6/20 0.41
RECQL P46063 3/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 3/20 0.41
POLB P06746 2/20 0.41
THRB P10828 1/20 0.41
TP53 P04637 1/20 0.39
KCNMA1 Q12791 1/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 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
SCHEMBL8068983 0.93 ALDH1A1 (0.51) CYP19A1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL7831313 0.88 SMN1; SMN2 (0.45) CYP19A1ALDH1A1MEN1KMT2AUCHL1
SCHEMBL8071479 0.87 CYP19A1 (0.54) CYP19A1ALDH1A1MEN1KMT2AUCHL1
SCHEMBL5511589 0.87 MAPT (0.44) CYP19A1ALDH1A1UCHL1SMN1; SMN2MITF
SCHEMBL7823456 0.86 SMN1; SMN2 (0.44) CYP19A1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL7817398 0.86 MAPT (0.43) CYP19A1ALDH1A1MEN1KMT2AUCHL1
SCHEMBL7816184 0.85 CYP19A1 (0.44) CYP19A1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL7831187 0.85 CYP19A1 (0.47) CYP19A1ALDH1A1UCHL1SMN1; SMN2MITF
SCHEMBL7827509 0.84 MAOB (0.43) CYP19A1ALDH1A1MEN1KMT2AMAPK1
SCHEMBL8071924 0.84 CYP19A1 (0.48) CYP19A1ALDH1A1MEN1KMT2AMAPK1

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