SCHEMBL28069062

SCHEMBL28069062

CC(C)N(NCCN)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.33
CA6 P23280 3/20 0.33
CA7 P43166 3/20 0.33
CA9 Q16790 3/20 0.33
CA14 Q9ULX7 3/20 0.33
CA5B Q9Y2D0 3/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
CA2 P00918 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA5A P35218 2/20 0.32
CA1 P00915 1/20 0.32
ALOX15 P16050 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL1235195 0.79 GABRR1 (0.31) CA12CA6CA7CA9CA14
SCHEMBL1685444 0.74 CA1 (0.33) CA1
SCHEMBL687259 0.67
SCHEMBL7051007 0.67 CYP2C9 (0.43) CA12CA6CA7CA9CA14
SCHEMBL17558201 0.67
SCHEMBL9114042 0.65 CA12 (0.44) CA12CA6CA7CA9CA14
SCHEMBL632010 0.65
SCHEMBL27474056 0.64
SCHEMBL4124680 0.62 CYP2C19 (0.56) CA12CA6CA7CA9CA14
SCHEMBL506529 0.61 CA12 (0.39) CA12CA6CA7CA9CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113089122-B Preparation method of polyurethane urea spinning solution with stable and controllable viscosity and fiber 华峰重庆氨纶有限公司 2023-03-10 CN disclosed
CN-113089122-A Preparation method of polyurethane urea spinning solution with stable and controllable viscosity and fiber 华峰重庆氨纶有限公司 2021-07-09 CN disclosed
CN-104557561-B A kind of preparation method of N1, N1-diisopropyl ethylenediamine or its salt 北京悦康科创医药科技有限公司 2016-07-06 CN disclosed