SCHEMBL22551245

SCHEMBL22551245

NCCNCCNCCNN1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 2/20 0.50
GNAO1 P09471 2/20 0.50
GNAI1 P63096 2/20 0.50
CA12 O43570 5/20 0.44
CA6 P23280 5/20 0.44
CA7 P43166 5/20 0.44
CA9 Q16790 5/20 0.44
CA14 Q9ULX7 5/20 0.44
CA5B Q9Y2D0 5/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA5A P35218 4/20 0.44
CA3 P07451 3/20 0.44
ALOX15 P16050 3/20 0.44
LMNA P02545 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
CA1 P00915 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL11591608 1.00 GNAI3 (0.50) GNAI3GNAO1GNAI1CA12CA6
SCHEMBL8755685 0.87 GNAI3 (0.52) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL31510125 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL7789568 0.85 GNAI3 (0.50) GNAI3GNAO1GNAI1ACE2HSD17B10
SCHEMBL1188399 0.85 CA12 (0.55) GNAI3GNAO1GNAI1CA12CA6
SCHEMBL3968889 0.81 CA12 (0.50) CA12CA6CA7CA9CA14
SCHEMBL27691013 0.80 GNAI3 (0.65) GNAI3GNAO1GNAI1CA12CA6
SCHEMBL27706726 0.79 CA12 (0.48) CA12CA6CA7CA9CA14
Piperazine SCHEMBL9063706 0.78 CA12 (0.65) CA12CA6CA7CA9CA14
SCHEMBL10890174 0.78 GNAI3 (0.56) GNAI3GNAO1GNAI1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103702956-A Formaldehyde-free sizing composition for fibres, in particular mineral fibres, and resulting products SAINT GOBAIN ISOVER 2014-04-02 CN claimed
CN-103687826-A Formaldehyde-free sizing composition for fibres, in particular mineral fibres, and resulting products. SAINT GOBAIN ISOVER 2014-03-26 CN claimed
EP-3724142-A1 PROCESS FOR PRODUCING MINERAL WOOL SAINT-GOBAIN ISOVER (FR) 2020-10-21 EP disclosed
CN-103702956-A Formaldehyde-free sizing composition for fibres, in particular mineral fibres, and resulting products SAINT GOBAIN ISOVER 2014-04-02 CN disclosed
CN-103687826-A Formaldehyde-free sizing composition for fibres, in particular mineral fibres, and resulting products. SAINT GOBAIN ISOVER 2014-03-26 CN disclosed