SCHEMBL17897435

SCHEMBL17897435

Cc1ccc(N(c2ccc(C)cc2)c2ccc3c(c2)c2ccccc2n3-c2ccc(-c3nc(-c4ccccc4)nc(-c4ccccc4)n3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.39
ATM Q13315 2/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.38
CYP2C9 P11712 1/20 0.38
AKR1C4 P17516 1/20 0.38
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
AKR1C1 Q04828 1/20 0.38
ALDH1A1 P00352 4/20 0.38
CYP1A1 P04798 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP1B1 Q16678 1/20 0.38
RAC2 P15153 1/20 0.38
RAC3 P60763 1/20 0.38
CDC42 P60953 1/20 0.38
RAC1 P63000 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38

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
SCHEMBL17897432 0.99 PTGER4 (0.39) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL24241377 0.98 PTGER4 (0.39) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL17897464 0.95 HTT (0.40) ATMKDM4EL3MBTL1HTTCYP2C9
SCHEMBL17897466 0.95 HTT (0.40) ATMKDM4EL3MBTL1HTTCYP2C9
SCHEMBL18679784 0.94 MEN1 (0.41) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL18679711 0.93 MEN1 (0.40) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL18679778 0.93 MEN1 (0.40) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL18679654 0.93 MEN1 (0.40) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL18679775 0.93 MEN1 (0.40) PTGER4ATMKDM4EL3MBTL1HTT
SCHEMBL17897446 0.93 CYP2C9 (0.38) PTGER4KDM4EL3MBTL1HTTCYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10297761-B2 Organic electroluminescent element IDEMITSU KOSAN CO., LTD. (JP) 2019-05-21 US disclosed
US-20160197286-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed
US-20160197286-A1 ORGANIC ELECTROLUMINESCENT ELEMENT IDEMITSU KOSAN CO., LTD. (JP) 2016-07-07 US disclosed