SCHEMBL12150775

SCHEMBL12150775

O=P(c1ccccc1)(c1ccccc1)c1cccc(N(c2ccccc2)c2ccc(N(c3ccccc3)c3ccccc3)cc2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CRHBP P24387 1/20 0.34
ATM Q13315 1/20 0.34
CRHR2 Q13324 1/20 0.34
TLR9 Q9NR96 1/20 0.34
KCNA5 P22460 3/20 0.33
HTT P42858 2/20 0.33
RECQL P46063 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL12150733 0.97 ALDH1A1 (0.35) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL12150761 0.97 KCNA5 (0.35) ALDH1A1TDP1MEN1KMT2AKCNA5
SCHEMBL2735501 0.94 KCNA5 (0.35) ALDH1A1TDP1MEN1KMT2AKCNA5
SCHEMBL12150682 0.92 ALDH1A1 (0.38) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL185649 0.89 MEN1 (0.36) ALDH1A1L3MBTL1TDP1KDM4ECYP1A2
SCHEMBL12150784 0.88 LMNA (0.34) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL12150765 0.87 LMNA (0.32) CYP1A2CYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL12150754 0.85 LMNA (0.34) ALDH1A1TDP1MAPTMEN1KMT2A
SCHEMBL12150728 0.84 LMNA (0.32) CYP1A2CYP3A4CYP2C9CYP2C19KCNA5
SCHEMBL12150771 0.84 KDM4E (0.39) L3MBTL1KDM4EATMNPSR1

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-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 US disclosed
US-8722208-B2 Organic electroluminescent device NIPPON STEEL & SUMIKIN CHEMICAL CO., LTD. (JP) 2014-05-13 US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 US disclosed
US-20110284828-A1 ORGANIC ELECTROLUMINESCENT DEVICE NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2011-11-24 US disclosed