SCHEMBL18159867

SCHEMBL18159867

COc1ccc(Oc2cccc(C)c2C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.60
GAA P10253 2/20 0.60
AR P10275 5/20 0.51
MAPK1 P28482 2/20 0.51
TSHR P16473 1/20 0.51
ALDH1A1 P00352 6/20 0.46
HTT P42858 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44
CRHBP P24387 1/20 0.44
RAB9A P51151 1/20 0.44
CRHR2 Q13324 1/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C19 P33261 2/20 0.44
LMNA P02545 1/20 0.44
CYP2C9 P11712 1/20 0.44
KDM4E B2RXH2 3/20 0.43

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
SCHEMBL13910204 0.98 POLB (0.58) POLBGAAARMAPK1TSHR
SCHEMBL10087455 0.95 POLB (0.55) POLBGAAARMAPK1TSHR
SCHEMBL26572697 0.94 POLB (0.54) POLBGAAARMAPK1TSHR
SCHEMBL13910281 0.92 POLB (0.53) POLBGAAARMAPK1TSHR
SCHEMBL12890385 0.91 POLB (0.51) POLBGAAARMAPK1TSHR
SCHEMBL12960257 0.90 POLB (0.50) POLBGAAARMAPK1TSHR
SCHEMBL12425090 0.89 PKM (0.51) POLBGAAARMAPK1TSHR
SCHEMBL18159862 0.89 POLB (0.49) POLBGAAARMAPK1TSHR
SCHEMBL26572702 0.87 PKM (0.50) POLBGAAARMAPK1TSHR
SCHEMBL12960255 0.87 AR (0.54) POLBGAAARMAPK1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023188842-A1 POLYETHER NITRILE FILM AND METHOD FOR PRODUCING POLYETHER NITRILE FILM 東レ株式会社 2023-10-05 WO disclosed
US-9954240-B2 5-(5-(2,6-dioxyphenyl)tetrazole containing polymer, membrane containing the same, electrochemical device including the membrane and method for preparing the same KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2018-04-24 US disclosed
US-20160308229-A1 5-(5-(2,6-DIOXYPHENYL)TETRAZOLE CONTAINING POLYMER, MEMBRANE CONTAINING THE SAME, ELECTROCHEMICAL DEVICE INCLUDING THE MEMBRANE AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-10-20 US disclosed
US-20160308229-A1 5-(5-(2,6-DIOXYPHENYL)TETRAZOLE CONTAINING POLYMER, MEMBRANE CONTAINING THE SAME, ELECTROCHEMICAL DEVICE INCLUDING THE MEMBRANE AND METHOD FOR PREPARING THE SAME KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-10-20 US disclosed