SCHEMBL15414035

SCHEMBL15414035

C=Cc1c(N)ccc2c1[nH]c1ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.47
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
MAPT P10636 4/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42

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
SCHEMBL159726 0.81 KIF11 (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL10434357 0.80 KIF11 (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL9502784 0.80 KIF11 (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL5673595 0.80 KIF11 (0.61) KIF11GABRPGABRDGABRA1GABRB1
Benzene SCHEMBL26657973 0.80 KIF11 (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL8742022 0.78 MAPT (0.49) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL28172630 0.78 TDO2 (0.45) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL67665 0.77 KIF11 (0.55) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL27667691 0.77 KIF11 (0.47) KIF11GABRPGABRDGABRA1GABRB1
SCHEMBL11667136 0.76 MAPT (0.44) KIF11GABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11674135-B2 DNA-encoded libraries having encoding oligonucleotide linkages not readable by polymerases X-CHEM, INC. (US) 2023-06-13 US disclosed
EP-3851529-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X-Chem, Inc. (US) 2021-07-21 EP disclosed
EP-3392338-B1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X CHEM INC (US) 2020-12-09 EP disclosed
US-20200143903-A1 METHODS FOR IDENTIFYING COMPOUNDS MIDCAP FINANCIAL TRUST 2020-05-07 US disclosed
EP-3612545-A1 METHODS FOR IDENTIFYING COMPOUNDS X-Chem, Inc. (US) 2020-02-26 EP disclosed
WO-2018195134-A1 METHODS FOR IDENTIFYING COMPOUNDS X-CHEM, INC. (US) 2018-10-25 WO disclosed
EP-3392338-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X-Chem, Inc. (US) 2018-10-24 EP disclosed
EP-2872680-B1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X CHEM INC (US) 2018-04-04 EP disclosed
US-20180002688-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-CHEM, INC. (US) 2018-01-04 US disclosed
EP-3240795-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-Chem, Inc. (US) 2017-11-08 EP disclosed
WO-2016109423-A1 METHODS FOR TAGGING DNA-ENCODED LIBRARIES X-CHEM, INC. (US) 2016-07-07 WO disclosed
US-20150211002-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES PHARMACEUTICAL PRODUCT DEVELOPMENT, LLC 2015-07-30 US disclosed
EP-2872680-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X-Chem, Inc. (US) 2015-05-20 EP disclosed
WO-2014012010-A1 DNA-ENCODED LIBRARIES HAVING ENCODING OLIGONUCLEOTIDE LINKAGES NOT READABLE BY POLYMERASES X-CHEM, INC. (US) 2014-01-16 WO disclosed