SCHEMBL29674396

SCHEMBL29674396

NCCCCCC(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.57
MAOA P21397 1/20 0.45
KCNH2 Q12809 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KCNN4 O15554 1/20 0.42
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL902585 1.00 KIF11 (0.57) KIF11MAOAKCNH2CYP3A4CYP2D6
SCHEMBL28472455 0.98 KIF11 (0.59) KIF11MAOAKCNH2CYP3A4CYP2D6
SCHEMBL3630705 0.91 KIF11 (0.68) KIF11MAOAKCNH2CYP3A4CYP2D6
SCHEMBL28118921 0.84 ALDH1A1 (0.43) KIF11MAOAKCNH2CYP3A4CYP2C9
SCHEMBL28118930 0.84 ALDH1A1 (0.43) KIF11MAOAKCNH2CYP3A4CYP2C9
SCHEMBL6226052 0.83 KIF11 (0.83) KIF11MAOAKCNH2CYP3A4CYP2D6
SCHEMBL8644028 0.82 KIF11 (0.52) KIF11MAOAKCNH2CYP3A4CYP2D6
SCHEMBL1524876 0.81 KIF11 (0.54) KIF11KCNH2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL5085141 0.81 KIF11 (0.80) KIF11MAOAKCNH2CYP3A4CYP2D6
SCHEMBL11757213 0.81 SCN5A (0.42) KIF11KCNN4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110651336-B Conductive paste composition, electrode device comprising same, and method for producing conductive paste composition 株式会社钟化 2022-05-17 CN disclosed