SCHEMBL16620210

SCHEMBL16620210

Cc1ccccc1/N=C1\CCC(C#N)C1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
USP2 O75604 1/20 0.33
HSD11B1 P28845 1/20 0.33
LMNA P02545 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
TP53 P04637 1/20 0.32
PAX8 Q06710 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.30
HK1 P19367 1/20 0.30
HKDC1 Q2TB90 1/20 0.30

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
SCHEMBL16620211 1.00 ALDH1A1 (0.35) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL16620334 0.91 ALDH1A1 (0.33) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL16620333 0.91 ALDH1A1 (0.33) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL16620306 0.91 USP2 (0.35) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL17985131 0.78 CYP1A2 (0.34) CYP1A2CYP11B1CYP11B2
SCHEMBL17985128 0.78 CYP1A2 (0.34) CYP1A2CYP11B1CYP11B2
SCHEMBL16620468 0.75 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP11B1CYP11B2
SCHEMBL16620467 0.75 ALDH1A1 (0.31) ALDH1A1CYP1A2CYP11B1CYP11B2
SCHEMBL8743963 0.74 USP2 (0.38) ALDH1A1GAAMEN1KMT2AUSP2
SCHEMBL16621217 0.74 SMN1; SMN2 (0.36) ALDH1A1MEN1KMT2ALMNANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11066486-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2021-07-20 US disclosed
US-20200157253-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2020-05-21 US disclosed
US-10590208-B2 Polymers functionalized with imine compounds containing a cyano group BRIDGESTONE CORPORATION (JP) 2020-03-17 US disclosed
US-20160237179-A1 Polymers Functionalized With Imine Compounds Containing A Cyano Group BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed
EP-3052531-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP Bridgestone Corporation (JP) 2016-08-10 EP disclosed
WO-2015050947-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-04-09 WO disclosed