SCHEMBL15414036

SCHEMBL15414036

NC=Cc1cccc2c1[nH]c1ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 5/20 0.50
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
GPR3 P46089 1/20 0.45
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRA1 P14867 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRG2 P18507 2/20 0.44
GABRB3 P28472 2/20 0.44
GABRA5 P31644 2/20 0.44
GABRA3 P34903 2/20 0.44
GABRA2 P47869 2/20 0.44
GABRB2 P47870 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44

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
SCHEMBL27943756 0.89 KIF11 (0.57) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL10434358 0.84 KIF11 (0.52) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL28301892 0.82 KIF11 (0.50) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL9502236 0.82 KIF11 (0.50) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL7054451 0.82 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL4592748 0.82 KIF11 (0.50) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL7054456 0.82 KIF11 (0.55) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL9050936 0.82 KIF11 (0.50) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL11649303 0.82 KIF11 (0.50) KIF11ALDH1A1HSD17B10GPR3GABRP
SCHEMBL7117038 0.81 GLA (0.59) KIF11ALDH1A1HSD17B10GPR3GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110730822-B Methods for identifying compounds X-化学有限公司 2024-03-08 CN disclosed
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
CN-107428795-B Method for tagging DNA encoding libraries X-化学有限公司 2021-06-18 CN 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
CN-110730822-A Method for identifying compounds X-化学有限公司 2020-01-24 CN 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