SCHEMBL10456366

SCHEMBL10456366

NCCCCNCCCNN1CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.54
CA6 P23280 4/20 0.54
CA7 P43166 4/20 0.54
CA9 Q16790 4/20 0.54
CA14 Q9ULX7 4/20 0.54
CA5B Q9Y2D0 4/20 0.54
CA2 P00918 3/20 0.54
CA4 P22748 3/20 0.54
CA5A P35218 3/20 0.54
F13A1 P00488 2/20 0.54
CYP1A2 P05177 2/20 0.54
ALOX15 P16050 2/20 0.54
THPO P40225 2/20 0.54
CA3 P07451 2/20 0.54
CA1 P00915 1/20 0.54
CYP2C9 P11712 1/20 0.54
PKM P14618 1/20 0.54
TSHR P16473 1/20 0.54
MTOR P42345 1/20 0.54
LMNA P02545 1/20 0.52

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
SCHEMBL10456364 0.96 CA12 (0.56) CA12CA6CA7CA9CA14
SCHEMBL10456367 0.93 CA12 (0.59) CA12CA6CA7CA9CA14
SCHEMBL2479651 0.91
SCHEMBL28159685 0.86 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL17740072 0.80 GNAI3 (0.41) CA12CA6CA7CA9CA14
SCHEMBL5501507 0.80 CA12 (0.39) CA12CA6CA7CA9CA14
SCHEMBL1188399 0.79 CA12 (0.55) CA12CA6CA7CA9CA14
SCHEMBL10458041 0.79 ACE2 (0.47) ALOX15SMN1; SMN2ACE2
SCHEMBL3169235 0.78 CA12 (0.87) CA12CA6CA7CA9CA14
SCHEMBL3054702 0.78 CA12 (0.87) 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-104039325-A Use of Bruton's Tyrosine Kinase (BTK) inhibitors PHARMACYCLICS INC 2014-09-10 CN disclosed
CN-1780850-A Use of lectins to promote oligomerization of glycoproteins and antigenic molecules ANTIGENICS INC (US) 2006-05-31 CN disclosed
US-4925835-A INHIBITING PROLIFERATION OF CANCER CELLS SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-05-15 US disclosed