SCHEMBL16100614

SCHEMBL16100614

COc1cc(C)ccc1N=Cc1ncncn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 1/20 0.42
ACHE P22303 1/20 0.41
ALDH1A1 P00352 7/20 0.35
KDM4E B2RXH2 4/20 0.35
POLB P06746 2/20 0.35
RORC P51449 1/20 0.35
KMT2A Q03164 6/20 0.34
MAPT P10636 6/20 0.34
MEN1 O00255 5/20 0.34
HPGD P15428 4/20 0.34
HTT P42858 3/20 0.34
CYP3A4 P08684 2/20 0.34
MAPK1 P28482 2/20 0.34
CYP2C19 P33261 2/20 0.34
USP2 O75604 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 3/20 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
SCHEMBL16100612 1.00 CYP1B1 (0.42) CYP1B1ACHEALDH1A1KDM4EPOLB
SCHEMBL16101193 0.88 ACHE (0.41) CYP1B1ACHEALDH1A1KDM4EPOLB
SCHEMBL16101192 0.88 ACHE (0.41) CYP1B1ACHEALDH1A1KDM4EPOLB
SCHEMBL17499373 0.87 KDM4E (0.32) CYP1B1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL17499372 0.87 KDM4E (0.32) CYP1B1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL16097632 0.87 CYP1B1 (0.43) CYP1B1ACHEALDH1A1KDM4EPOLB
SCHEMBL16097633 0.87 CYP1B1 (0.43) CYP1B1ACHEALDH1A1KDM4EPOLB
SCHEMBL17499646 0.85 KDM4E (0.31) ALDH1A1KDM4EKMT2AMAPTMEN1
SCHEMBL16101557 0.80 ALDH1A1 (0.43) CYP1B1ALDH1A1KDM4EPOLBKMT2A
SCHEMBL16101559 0.80 ALDH1A1 (0.43) CYP1B1ALDH1A1KDM4EPOLBKMT2A

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