SCHEMBL8071479

SCHEMBL8071479

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc2c(cc1N)OCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.54
MAPT P10636 4/20 0.45
POLB P06746 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
RECQL P46063 2/20 0.44
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
RAB9A P51151 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
ALOX15 P16050 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HSD17B10 Q99714 3/20 0.42
HPGD P15428 2/20 0.42
UCHL1 P09936 1/20 0.42
TP53 P04637 1/20 0.41

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
SCHEMBL8073852 0.93 CYP19A1 (0.51) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8071577 0.87 CYP19A1 (0.49) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL7831300 0.85 SMN1; SMN2 (0.48) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8057631 0.81 POLB (0.46) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8066802 0.81 POLB (0.46) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8066745 0.81 POLB (0.44) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8067025 0.81 AKR1C3 (0.48) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8068983 0.81 ALDH1A1 (0.51) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8067017 0.80 SMN1; SMN2 (0.48) CYP19A1MAPTPOLBSMN1; SMN2RECQL
SCHEMBL8066864 0.79 POLB (0.49) CYP19A1MAPTPOLBSMN1; SMN2RECQL

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