SCHEMBL17828542

SCHEMBL17828542

c1ccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)c3c2-c2ccc4c5c(ccc-3c25)-c2c-4c(N(c3ccccc3)c3ccccc3)c3ccccc3c2N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL134664 0.91 ALDH1A1 (0.35) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17828540 0.84 SIGMAR1 (0.33) KDM4EALDH1A1MAPT
SCHEMBL13015398 0.78
SCHEMBL29444858 0.77 RXRA (0.32) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL2449457 0.77 RXRA (0.32) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL134672 0.73 SIGMAR1 (0.36) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL12031841 0.73 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL10128609 0.73 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7214261 0.73 ALDH1A1 (0.39) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23546672 0.73 KEAP1 (0.47) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6

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-9997717-B2 Organic electroluminescence device and electronic device IDEMITSU KOSAN CO., LTD. (JP) 2018-06-12 US disclosed
US-20160172601-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2016-06-16 US disclosed