SCHEMBL8067017

SCHEMBL8067017

CCOC(=O)c1nnn(Cc2ccc(OC)cc2)c1C(=O)c1cc(C)cc(C)c1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
POLB P06746 3/20 0.46
MAPT P10636 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALOX15 P16050 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HSD17B10 Q99714 3/20 0.44
HPGD P15428 3/20 0.44
LMNA P02545 2/20 0.44
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP19A1 P11511 3/20 0.43
RECQL P46063 1/20 0.43
UCHL1 P09936 1/20 0.42
PDE8B O95263 1/20 0.42
NPC1 O15118 1/20 0.41
PSMD14 O00487 1/20 0.41
TDP1 Q9NUW8 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
SCHEMBL8068106 0.93 POLB (0.46) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL7831300 0.86 SMN1; SMN2 (0.48) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL8066864 0.85 POLB (0.49) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL5517220 0.82 UCHL1 (0.55) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL7823456 0.81 SMN1; SMN2 (0.44) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL8057396 0.81 CYP19A1 (0.45) SMN1; SMN2POLBMAPTMEN1KMT2A
SCHEMBL8066745 0.81 POLB (0.44) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL7831313 0.81 SMN1; SMN2 (0.45) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL8067025 0.80 AKR1C3 (0.48) SMN1; SMN2POLBMAPTRXFP1ALOX15
SCHEMBL8071479 0.80 CYP19A1 (0.54) SMN1; SMN2POLBMAPTRXFP1ALOX15

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