SCHEMBL22551244

SCHEMBL22551244

CC(NCCNCCN)NN1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
LMNA P02545 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
CA12 O43570 2/20 0.34
CA6 P23280 2/20 0.34
CA7 P43166 2/20 0.34
CA9 Q16790 2/20 0.34
CA14 Q9ULX7 2/20 0.34
CA5B Q9Y2D0 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
ALOX15 P16050 1/20 0.34
CA4 P22748 1/20 0.34
CA5A P35218 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ACE2 Q9BYF1 1/20 0.34

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
SCHEMBL15658335 0.79 ACE2 (0.33) LMNATDP1CA12CA6CA7
SCHEMBL11547492 0.78 CA12 (0.37) GNAI3GNAO1GNAI1LMNATDP1
SCHEMBL2480876 0.78 CA12 (0.37) GNAI3GNAO1GNAI1LMNATDP1
SCHEMBL11591608 0.74 GNAI3 (0.50) GNAI3GNAO1GNAI1LMNATDP1
SCHEMBL22551245 0.74 GNAI3 (0.50) GNAI3GNAO1GNAI1LMNATDP1
SCHEMBL27815386 0.72 LMNA (0.34) LMNATDP1CA12CA6CA7
SCHEMBL28200071 0.71 ACE2 (0.39) GNAI3GNAO1GNAI1LMNATDP1
SCHEMBL2890159 0.71 CA12 (0.55) LMNATDP1CA12CA6CA7
Piperazine SCHEMBL9063706 0.69 CA12 (0.65) LMNATDP1CA12CA6CA7
Trientine SCHEMBL9064137 0.67 ACE2 (0.69) LMNATDP1CA12CA6CA7

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
EP-3724142-A1 PROCESS FOR PRODUCING MINERAL WOOL SAINT-GOBAIN ISOVER (FR) 2020-10-21 EP disclosed