SCHEMBL17499409

SCHEMBL17499409

COc1ccc(C)cc1N=Cc1cnn(C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPI P34949 1/20 0.38
RORC P51449 1/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ACHE P22303 1/20 0.38
KDM4E B2RXH2 2/20 0.37
HSP90AA1 P07900 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
MMP14 P50281 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
USP2 O75604 1/20 0.37
GAA P10253 1/20 0.37
CYP1B1 Q16678 1/20 0.37
LCK P06239 5/20 0.36
CSF1R P07333 1/20 0.36
POLB P06746 2/20 0.35

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
SCHEMBL17499407 1.00 MPI (0.38) MPIRORCALDH1A1KMT2AMEN1
SCHEMBL17499198 0.89 CYP1B1 (0.46) RORCALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17499197 0.89 CYP1B1 (0.46) RORCALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL17499471 0.87 LCK (0.32) RORCKDM4EMAPTHTTCYP1B1
SCHEMBL17499468 0.87 LCK (0.32) RORCKDM4EMAPTHTTCYP1B1
SCHEMBL28040325 0.85 KDM4E (0.31) KDM4EMAPTHTT
SCHEMBL17499339 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL17499337 0.83 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL17499146 0.80 CYP1B1 (0.33) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E
SCHEMBL17499144 0.80 CYP1B1 (0.33) ALDH1A1KMT2AMEN1SMN1; SMN2KDM4E

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