SCHEMBL17499607

SCHEMBL17499607

COc1cc(C)ccc1N=Cc1cn(C)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.39
ACHE P22303 1/20 0.37
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
MAPT P10636 4/20 0.34
HTT P42858 3/20 0.34
HPGD P15428 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPK1 P28482 1/20 0.34
MMP14 P50281 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
LMNA P02545 3/20 0.34
PKM P14618 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
LCK P06239 4/20 0.33

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
SCHEMBL17499605 1.00 CYP1B1 (0.39) CYP1B1ACHEALDH1A1KDM4EPOLB
SCHEMBL17499478 0.90 KMT2A (0.39) ACHEALDH1A1KDM4EPOLBKMT2A
SCHEMBL17499479 0.90 KMT2A (0.39) ACHEALDH1A1KDM4EPOLBKMT2A
SCHEMBL17499759 0.88 AMY1A (0.31)
SCHEMBL17499761 0.88 AMY1A (0.31)
SCHEMBL17499679 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL17499676 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBKMT2AMEN1
SCHEMBL17499511 0.82 LRRK2 (0.32) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL17499506 0.82 LRRK2 (0.32) KDM4EKMT2AMEN1MAPTHTT
SCHEMBL17499810 0.79 CYP1B1 (0.39) CYP1B1ACHEALDH1A1KDM4EPOLB

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