SCHEMBL6129046

SCHEMBL6129046

NC1(N)C=CC(N(c2ccccc2)c2ccccc2)=CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 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
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL20172369 0.80 ALDH1A1 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30234951 0.79 ALDH1A1 (0.38) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL30600113 0.75 KDM4E (0.31) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL9147840 0.75
SCHEMBL29875041 0.74 SLC6A3 (0.34) KDM4EMAPT
SCHEMBL19675254 0.72 CYP2C19 (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL23592218 0.71
SCHEMBL30714819 0.71 KDM4E (0.33) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL14669236 0.70 CYP2C19 (0.32) CYP2C19
SCHEMBL1120013 0.69 TAAR1 (0.34) ALDH1A1CYP1A2CYP3A4MAPTTDP1

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-11427693-B2 Polymer aerogel with improved mechanical and thermal properties BLUESHFT MATERIALS, INC. (US) 2022-08-30 US claimed
US-9601780-B2 Multilayer conductive film, current collector using same, battery and bipolar battery KANEKA CORPORATION (JP) 2017-03-21 US disclosed
US-20140186699-A1 MULTILAYER CONDUCTIVE FILM, CURRENT COLLECTOR USING SAME, BATTERY AND BIPOLAR BATTERY NISSAN MOTOR CO., LTD. (JP) 2014-07-03 US disclosed
WO-2005107344-A1 MULTILAYER PRINTED CIRCUIT BOARD KANEKA HIGH TECH MATERIALS (US) 2005-11-10 WO disclosed