SCHEMBL10796972

SCHEMBL10796972

CNc1cc2ccccc2cc1C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.66
GFER P55789 1/20 0.66
NGLY1 Q96IV0 1/20 0.66
PTPN1 P18031 1/20 0.64
KDM4E B2RXH2 2/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
AKR1C3 P42330 1/20 0.58
AKR1C2 P52895 1/20 0.58
AKR1C1 Q04828 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ABCC1 P33527 1/20 0.58
IDO1 P14902 1/20 0.53
GPR35 Q9HC97 3/20 0.49
MYC P01106 1/20 0.49
POLB P06746 1/20 0.49
MAPK8 P45983 1/20 0.48
GRIK1 P39086 2/20 0.47
CTSV O60911 1/20 0.45

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
SCHEMBL14191234 0.85 MAPT (0.47) MAPTGFERNGLY1PTPN1KDM4E
Anthracene SCHEMBL3829432 0.83 KDM4E (0.55) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL5860670 0.81 PTPN1 (0.70) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL7992611 0.81 DHODH (0.49) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL13911185 0.81 MAPT (0.53) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL5391933 0.81 MAPT (0.66) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL29747498 0.79 MAPT (1.00) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL7534675 0.79 MAPT (1.00) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL69178 0.79 IDO1 (0.71) MAPTGFERNGLY1PTPN1KDM4E
SCHEMBL29373760 0.79 IDO1 (0.71) MAPTGFERNGLY1PTPN1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107629068-B Organic electroluminescent material and application thereof 机光科技股份有限公司 2021-02-02 CN disclosed
EP-3626708-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE PICKUP APPARATUS, ELECTRONIC APPARATUS, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-03-25 EP disclosed
US-4673631-A OF AN AMINO ACID COMPOUND CANON KABUSHIKI KAISHA (JP) 1987-06-16 US disclosed