SCHEMBL16095943

SCHEMBL16095943

COc1ccccc1CCN=Cc1ncc2nccnc2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
ABCB1 P08183 1/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2C9 P11712 3/20 0.34
TSHR P16473 3/20 0.34
CYP2C19 P33261 3/20 0.34
USP2 O75604 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
AOC3 Q16853 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DHFR P00374 1/20 0.34
POLB P06746 1/20 0.34
CYP2D6 P10635 2/20 0.34
ALDH1A1 P00352 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
SCHEMBL16096203 0.89
SCHEMBL16097058 0.88 MEN1 (0.37) MEN1KMT2ATAAR1HCAR2CYP1A2
SCHEMBL16097061 0.88 MEN1 (0.37) MEN1KMT2ATAAR1HCAR2CYP1A2
SCHEMBL16099269 0.80 TAAR1 (0.46) TAAR1ABCB1SIGMAR1AOC3CHRM2
SCHEMBL16095803 0.79 TAAR1 (0.43) MEN1KMT2ATAAR1ABCB1CYP1A2
SCHEMBL16098211 0.77
SCHEMBL16095948 0.77
SCHEMBL16095950 0.77
SCHEMBL16096595 0.77 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL16096594 0.77 ALDH1A1 (0.37) MEN1KMT2APOLBALDH1A1LMNA

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-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
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed