SCHEMBL18560751

SCHEMBL18560751

c1ccc(-n2c3ccccc3c3cc(-c4ccc5c(c4)c4ccccc4n5-c4cccc(-c5cccc(-c6cccnc6)n5)c4)ccc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.45
CYP19A1 P11511 2/20 0.44
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2A6 P11509 1/20 0.40
GRM5 P41594 1/20 0.39
DHODH Q02127 1/20 0.39
CYP1A2 P05177 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMO O15229 1/20 0.39
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
CYP17A1 P05093 1/20 0.38
MDM2 Q00987 1/20 0.38
G6PD P11413 1/20 0.38
MEN1 O00255 1/20 0.37

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
SCHEMBL18560782 0.97 MAPT (0.43) MAPTCYP19A1KDM4EATML3MBTL1
SCHEMBL9973710 0.94 CYP19A1 (0.49) MAPTCYP19A1CYP2A6GRM5DHODH
SCHEMBL23843598 0.93 CYP19A1 (0.48) MAPTCYP19A1KDM4EATML3MBTL1
SCHEMBL9973684 0.93 CYP19A1 (0.50) MAPTCYP19A1L3MBTL1CYP2A6GRM5
SCHEMBL18717870 0.89 L3MBTL1 (0.46) MAPTCYP19A1KDM4EATML3MBTL1
SCHEMBL14979085 0.89 L3MBTL1 (0.49) MAPTKDM4EATML3MBTL1POLB
SCHEMBL21973752 0.88 CYP19A1 (0.56) MAPTCYP19A1KDM4EATML3MBTL1
SCHEMBL19763282 0.88 KDM4E (0.45) MAPTCYP19A1KDM4EATML3MBTL1
SCHEMBL23843484 0.88 CYP19A1 (0.51) MAPTCYP19A1KDM4EATML3MBTL1
SCHEMBL16870765 0.88 L3MBTL1 (0.47) MAPTKDM4EATML3MBTL1GRM5

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-20170062730-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-02 US disclosed
US-20170062730-A1 MULTI-COMPONENT HOST MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME ROHM & HAAS ELECT MATERIALS KOREA LTD (KR) 2017-03-02 US disclosed