SCHEMBL6289904

SCHEMBL6289904

Cc1cccc(C)c1N1CCN(c2c(C)cccc2C)C1=N

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.46
GAA P10253 2/20 0.42
P2RX7 Q99572 5/20 0.39
ALDH1A1 P00352 4/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX12 P18054 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
CRHBP P24387 1/20 0.37
HTT P42858 1/20 0.37
CRHR2 Q13324 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 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
Bromide SCHEMBL11168325 0.98 SIGMAR1 (0.45) SIGMAR1GAAP2RX7ALDH1A1KMT2A
SCHEMBL29497639 0.98 SIGMAR1 (0.45) SIGMAR1GAAP2RX7ALDH1A1KMT2A
SCHEMBL11170525 0.91 GAA (0.40) SIGMAR1GAAP2RX7ALDH1A1KMT2A
SCHEMBL16834246 0.77 ALDH1A1 (0.37) SIGMAR1GAAALDH1A1KDM4EMAPT
SCHEMBL11175848 0.77 ADRB1 (0.50) SIGMAR1GAAP2RX7ALDH1A1KMT2A
SCHEMBL11170782 0.77 GAA (0.37) GAA
SCHEMBL18179626 0.77 DDB1 (0.40) SIGMAR1P2RX7ALDH1A1KMT2AMEN1
Lithium Ion SCHEMBL29497672 0.76 GAA (0.41) GAAP2RX7ALDH1A1KMT2AKDM4E
SCHEMBL8873384 0.76 SIGMAR1 (0.50) SIGMAR1P2RX7ALDH1A1KMT2AMEN1
SCHEMBL23186704 0.74 SMN1; SMN2 (0.41) GAAALDH1A1KMT2AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114292292-A Transition metal complex containing monoanionic ligand, and preparation method and application thereof 常州汉韦聚合物有限公司 2022-04-08 CN disclosed
US-6858558-B2 Olefin polymerization catalyst component and catalyst system and polymerization process using such a catalyst system STICHTING DUTCH POLYMER INSTITUTE (NL) 2005-02-22 US disclosed
US-20040192541-A1 Olefin polymerization catalyst component and catalyst system and polymerization process using such a catalyst system KRETSCHMER WINFRIED PETER (NL) 2004-09-30 US disclosed
EP-1373332-B1 OLEFIN POLYMERIZATION CATALYST COMPONENT AND CATALYST SYSTEM AND POLYMERIZATION PROCESS USING SUCH A CATALYST SYSTEM STICHTING DUTCH POLYMER INST (NL) 2004-09-22 EP disclosed
EP-1373332-A1 OLEFIN POLYMERIZATION CATALYST COMPONENT AND CATALYST SYSTEM AND POLYMERIZATION PROCESS USING SUCH A CATALYST SYSTEM Stichting Dutch Polymer Institute (NL) 2004-01-02 EP disclosed
WO-2002070569-A1 OLEFIN POLYMERIZATION CATALYST COMPONENT AND CATALYST SYSTEM AND POLYMERIZATION PROCESS USING SUCH A CATALYST SYSTEM STICHTING DUTCH POLYMER INSTITUTE (NL) 2002-09-12 WO disclosed
US-4369325-A ANTIPHLOGISTIC AND DIURETIC ACTIVITY EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1983-01-18 US disclosed
US-4284642-A DIURETICS, ANTIPHLOGISTICS EGYT GYOGYSZERVEGYESZETI GYAR (HU) 1981-08-18 US disclosed