SCHEMBL17985154

SCHEMBL17985154

CCC(C#N)CCN=Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.41
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
TAAR1 Q96RJ0 2/20 0.36
MEN1 O00255 3/20 0.36
CA1 P00915 2/20 0.35
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
CTSC P53634 1/20 0.33
KDM4E B2RXH2 2/20 0.31
USP2 O75604 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL17985153 1.00 CA2 (0.41) CA2KMT2AALDH1A1TAAR1MEN1
SCHEMBL21957546 0.86 KMT2A (0.39) CA2KMT2AALDH1A1TAAR1MEN1
SCHEMBL21957545 0.86 KMT2A (0.39) CA2KMT2AALDH1A1TAAR1MEN1
SCHEMBL21957560 0.84 NPC1 (0.45) CA2KMT2AALDH1A1MEN1CA1
SCHEMBL21957559 0.84 NPC1 (0.45) CA2KMT2AALDH1A1MEN1CA1
SCHEMBL21957552 0.81 CA12 (0.36) CA2ALDH1A1CA1CA12CA9
SCHEMBL21957551 0.81 CA12 (0.36) CA2ALDH1A1CA1CA12CA9
SCHEMBL16620219 0.78 KMT2A (0.39) CA2KMT2AALDH1A1TAAR1MEN1
SCHEMBL17985143 0.78 KMT2A (0.39) CA2KMT2AALDH1A1TAAR1MEN1
SCHEMBL17985136 0.75 CA2 (0.41) CA2KMT2AALDH1A1TAAR1MEN1

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-3052531-B1 POLYMERS FUNCTIONALIZED WITH IMINE COMPOUNDS CONTAINING A CYANO GROUP BRIDGESTONE CORP (JP) 2024-07-24 EP 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
US-20160237179-A1 Polymers Functionalized With Imine Compounds Containing A Cyano Group BRIDGESTONE CORPORATION (JP) 2016-08-18 US disclosed