SCHEMBL17499478

SCHEMBL17499478

COc1ccc(C)cc1/N=C/c1cn(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 2/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 2/20 0.39
HSP90AA1 P07900 1/20 0.39
MMP14 P50281 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MPI P34949 1/20 0.37
ACHE P22303 1/20 0.37
HPGD P15428 3/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ALDH1A1 P00352 4/20 0.35
POLB P06746 2/20 0.35
RECQL P46063 1/20 0.34
CYP3A4 P08684 1/20 0.34
QPCT Q16769 2/20 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
SCHEMBL17499479 1.00 KMT2A (0.39) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499605 0.90 CYP1B1 (0.39) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499607 0.90 CYP1B1 (0.39) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499511 0.87 LRRK2 (0.32) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499506 0.87 LRRK2 (0.32) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499679 0.82 ALDH1A1 (0.45) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499676 0.82 ALDH1A1 (0.45) KMT2ASMN1; SMN2KDM4EMAPTMEN1
SCHEMBL17499761 0.81 AMY1A (0.31)
SCHEMBL17499759 0.81 AMY1A (0.31)
SCHEMBL16096913 0.79 KMT2A (0.37) KMT2ASMN1; SMN2KDM4EMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed