SCHEMBL29601751

SCHEMBL29601751

CCc1cc(C(N)(N)c2ccccc2)c(C)c(C)c1CC

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.37
KCNN4 O15554 3/20 0.36
TAAR1 Q96RJ0 1/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
PTPN5 P54829 1/20 0.31
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6737771 1.00 KIF11 (0.37) KIF11KCNN4TAAR1CYP1A2CYP2D6
SCHEMBL2260217 0.83 KIF11 (0.38) KIF11KCNN4TAAR1CYP1A2CYP2D6
SCHEMBL9563235 0.75 GABRA1 (0.41) KIF11KCNN4TAAR1MAPT
SCHEMBL2230699 0.75 GABRA1 (0.41) KIF11KCNN4TAAR1CYP1A2CYP2D6
SCHEMBL8084805 0.73 GABRA1 (0.41) KIF11KCNN4TAAR1CYP1A2CYP2D6
SCHEMBL239497 0.72 KCNN4 (0.44) KIF11KCNN4TAAR1CYP1A2CYP2D6
SCHEMBL9576011 0.71 KIF11 (0.40) KIF11KCNN4TAAR1CYP2D6
SCHEMBL11689791 0.71 KIF11 (0.35) KIF11
Hydrochloric Acid SCHEMBL27784459 0.70 KCNN4 (0.43) KIF11KCNN4TAAR1CYP1A2CYP2D6
SCHEMBL30182809 0.70 KIF11 (0.32) KIF11

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
WO-2022082425-A1 INKJET-USE HARDENABLE COMPOSITION, HARDENER, AND FLEXIBLE PRINTED CIRCUIT BOARD 律胜科技股份有限公司 2022-04-28 WO disclosed