SCHEMBL9308087

SCHEMBL9308087

COCCCCCCCCCCCN

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 9/20 0.50
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA3 P07451 2/20 0.50
CA4 P22748 2/20 0.50
CA6 P23280 2/20 0.50
CA5A P35218 2/20 0.50
CA7 P43166 2/20 0.50
CA9 Q16790 2/20 0.50
CA14 Q9ULX7 2/20 0.50
CA5B Q9Y2D0 2/20 0.50
TSHR P16473 2/20 0.50
LMNA P02545 1/20 0.50
BLM P54132 1/20 0.50
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
EPHX1 P07099 1/20 0.45
NFKB1 P19838 1/20 0.44

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
SCHEMBL921144 1.00
SCHEMBL8069136 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL8076688 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL8083458 1.00
SCHEMBL7989464 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL8078463 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL1579993 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL11644266 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
SCHEMBL11652315 1.00 DNM1 (0.50) DNM1CA12CA1CA2CA3
Hydrochloric Acid SCHEMBL3508306 0.97

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010005737-A2 ARTIFICIAL CARBOHYDRATE RECEPTORS AND METHODS OF USE THEREOF FLORIDA ATLANTIC UNIVERSITY (US) 2010-01-14 WO disclosed
US-5284976-A Method of producing primary amines in high yields ALDRICH CHEMICAL COMPANY, INC. (US) 1994-02-08 US disclosed
US-5276195-A Process for producing dimethylorganoboranes ALDRICH CHEMICAL COMPANY, INC. (US) 1994-01-04 US disclosed
US-5214209-A Method of producing primary amines in high yields and novel intermediates therefor ALDRICH CHEMICAL COMPANY, INC. (US) 1993-05-25 US disclosed
US-5210310-A Optically active dimethylorganoboranes ALDRICH CHEMICAL CO., INC. (US) 1993-05-11 US disclosed
US-5087700-A Method of producing primary amines in high yields ALDRICH CHEMICAL COMPANY, INC. (US) 1992-02-11 US disclosed
US-4918229-A Method of producing primary amines in high yields and novel intermediates therefor ALDRICH CHEMICAL COMPANY, INC. (US) 1990-04-17 US disclosed