SCHEMBL28840464

SCHEMBL28840464

NCCC(N)(c1ccccc1)c1ccccc1.NS(N)(c1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.44
KCNN4 O15554 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA5A P35218 2/20 0.37
CA9 Q16790 2/20 0.37
CA12 O43570 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA7 P43166 1/20 0.37
PLA2G7 Q13093 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
HTR6 P50406 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
SCHEMBL1524876 0.87 KIF11 (0.54) KIF11KCNN4TAAR1
Ammonia Solution, Strong SCHEMBL5201763 0.85 KIF11 (0.52) KIF11KCNN4TAAR1
SCHEMBL534617 0.75 CA1 (0.58) CA1CA2CA5ACA9CA12
SCHEMBL3630705 0.74 KIF11 (0.68) KIF11KCNN4TAAR1
Hydrochloric Acid SCHEMBL6574459 0.73 HTR2A (0.54) KIF11TAAR1HTR6
SCHEMBL28472455 0.72 KIF11 (0.59) KIF11KCNN4TAAR1
SCHEMBL3742639 0.72 KIF11 (0.41) KIF11
SCHEMBL902585 0.71 KIF11 (0.57) KIF11KCNN4TAAR1
SCHEMBL29674396 0.71 KIF11 (0.57) KIF11KCNN4TAAR1
SCHEMBL9722974 0.71 LTA4H (0.53) KIF11TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109071874-A Polyimide composition and polyimide test socket housing 纳幕尔杜邦公司 2018-12-21 CN disclosed
CN-106467998-A Dismountable guide rail, be provided with this guide rail interior shuttle and possess this interior shuttle sewing machine rotating shuttle device 纳幕尔杜邦公司 2017-03-01 CN disclosed