SCHEMBL16620593

SCHEMBL16620593

C=Nc1ccccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ESR2 Q92731 1/20 0.36
PDK2 Q15119 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
MCL1 Q07820 1/20 0.34
HTT P42858 2/20 0.34
KDM4E B2RXH2 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
SCHEMBL438440 0.81 LMNA (0.46) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4456223 0.80 SMN1; SMN2 (0.56) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL4091682 0.80 LMNA (0.48) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL31473075 0.80 SMN1; SMN2 (0.56) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL3767157 0.78 LMNA (0.47) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL5144177 0.76 ALDH1A1 (0.50) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL8490160 0.76 LMNA (0.50) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL28056618 0.74 LMNA (0.41) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL20562561 0.73 HTR3E (0.52) LMNATSHRALDH1A1SMN1; SMN2MEN1
SCHEMBL29463358 0.73 CYP3A4 (0.54) LMNATSHRALDH1A1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052531-B1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORP (JP) 2024-07-24 EP disclosed
US-20210289794-A1 COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE FLAGSHIP PIONEERING INNOVATIONS V, INC. 2021-09-23 US disclosed
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
EP-3180326-B1 BENZODIAZEPINE DERIVATIVES AS CCK2/GASTRIN RECEPTOR ANTAGONISTS TRIO MEDICINES LTD (GB) 2019-10-23 EP disclosed
CN-105814087-B Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2017-07-11 CN 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
CN-105814087-A Polymers functionalized with imine compounds containing cyano groups 株式会社普利司通 2016-07-27 CN disclosed
WO-2015050947-A1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORPORATION (JP) 2015-04-09 WO disclosed