SCHEMBL5148084

SCHEMBL5148084

CC(C)(CN)CN.NCCCCCCN

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.67
DNM1 Q05193 9/20 0.53
CA12 O43570 2/20 0.53
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA3 P07451 2/20 0.53
CA4 P22748 2/20 0.53
CA6 P23280 2/20 0.53
CA5A P35218 2/20 0.53
CA7 P43166 2/20 0.53
CA9 Q16790 2/20 0.53
CA14 Q9ULX7 2/20 0.53
CA5B Q9Y2D0 2/20 0.53
TSHR P16473 2/20 0.53
LMNA P02545 1/20 0.53
BLM P54132 1/20 0.53
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 1/20 0.47
EPHX1 P07099 1/20 0.47

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
SCHEMBL28392905 0.85 CYP2D6 (0.47) CYP2D6DNM1CA12CA1CA2
SCHEMBL830762 0.85 CYP2D6 (0.47) CYP2D6DNM1CA12CA1CA2
SCHEMBL829308 0.85 CYP2D6 (0.47) CYP2D6DNM1CA12CA1CA2
Ammonia Solution, Strong SCHEMBL23581185 0.83 CYP2D6 (0.45) CYP2D6DNM1CA12CA1CA2
SCHEMBL42682 0.82
SCHEMBL831341 0.81 CYP2D6 (0.50) CYP2D6DNM1CA12CA1CA2
SCHEMBL17492353 0.80 DNM1 (0.53) CYP2D6DNM1CA12CA1CA2
Hydrochloric Acid SCHEMBL7047737 0.78
Ammonia Solution, Strong SCHEMBL4612126 0.78
SCHEMBL4204702 0.78

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
EP-1441001-B1 Flame-retardant polyester film and processed product including the same TORAY INDUSTRIES (JP) 2007-11-28 EP disclosed
EP-1441001-A2 Flame-retardant polyester film and processed product including the same TORAY INDUSTRIES, INC. (JP) 2004-07-28 EP disclosed
EP-0263605-B1 WOUND DRESSING EDISON POLYMER INNOVATION CORPORATION ( EPIC) (US) 1992-05-06 EP disclosed
US-4889530-A Wound dressing containing acrylate or methacrylate hydrogel polymer UNIVERSITY OF AKRON (US) 1989-12-26 US disclosed
EP-0263605-A2 Wound dressing EDISON POLYMER INNOVATION CORPORATION ( EPIC) (US) 1988-04-13 EP disclosed