SCHEMBL8961417

SCHEMBL8961417

NCCCCCC(N)(N)N.O=BO

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.48
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA3 P07451 2/20 0.38
CA4 P22748 2/20 0.38
CA6 P23280 2/20 0.38
CA5A P35218 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
CA5B Q9Y2D0 2/20 0.38
LMNA P02545 2/20 0.38
DNM1 Q05193 1/20 0.38
TSHR P16473 1/20 0.38
BLM P54132 1/20 0.38
PDE3A Q14432 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36

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
SCHEMBL10437125 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
SCHEMBL6517306 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
SCHEMBL28473192 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
SCHEMBL1195699 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
SCHEMBL4157260 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
SCHEMBL29080417 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
SCHEMBL121803 0.84 DNM1 (0.53) FDPSCA12CA1CA2CA3
Hydrochloric Acid SCHEMBL11124074 0.82 DNM1 (0.50) FDPSCA12CA1CA2CA3
SCHEMBL1275650 0.82
Boric Acid SCHEMBL8961512 0.80 DNM1 (0.42) FDPSCA12CA1CA2CA3

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
EP-0375618-B1 Flame-retardant product MATEC HOLDING AG (CH) 1996-02-07 EP claimed
EP-0375618-A1 Flame-retardant product RIETER AUTOMOTIVE (INTERNATIONAL) AG (CH) 1990-06-27 EP claimed