SCHEMBL16304737

SCHEMBL16304737

c1ccc(-c2cc(-c3ccc(-n4c5ccccc5c5cc(-c6ccc7c(c6)c6ccccc6n7-c6ccc7c(c6)c6ncccc6n7-c6ccccc6)ccc54)cc3)cc(-c3ccccc3)n2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 5/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ CYP19A1 P11511 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ NPY5R Q15761 2/20 0.34
▸ PTGER4 P35408 2/20 0.33
▸ NR3C1 P04150 1/20 0.33
▸ TSPO P30536 1/20 0.32
▸ HDAC4 P56524 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ DHODH Q02127 1/20 0.31
▸ RAC2 P15153 1/20 0.31
▸ RAC3 P60763 1/20 0.31
▸ CDC42 P60953 1/20 0.31
▸ RAC1 P63000 1/20 0.31
▸ MAPT P10636 1/20 0.31

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
SCHEMBL16304741 1.00 TOP1 (0.39) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL18958773 0.98 TOP1 (0.40) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL18958774 0.98 TOP1 (0.40) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL17349380 0.98 TOP1 (0.40) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL17349383 0.98 TOP1 (0.40) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL16304708 0.97 TOP1 (0.37) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL17349313 0.95 TOP1 (0.38) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL17349335 0.95 TOP1 (0.38) TOP1KDM4EATML3MBTL1CYP19A1
SCHEMBL16304329 0.95 KDM4E (0.39) TOP1KDM4EATML3MBTL1ALDH1A1
SCHEMBL17349249 0.95 KDM4E (0.39) TOP1KDM4EATML3MBTL1CYP19A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9685614-B2 Material for organic electroluminescent element, and element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-06-20 — — US disclosed
US-9685614-B2 Material for organic electroluminescent element, and element using same IDEMITSU KOSAN CO., LTD. (JP) 2017-06-20 — — US disclosed
US-20140367667-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-18 — — US disclosed
US-20140367667-A1 MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELEMENT USING SAME IDEMITSU KOSAN CO., LTD. (JP) 2014-12-18 — — US disclosed
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