SCHEMBL9868223

SCHEMBL9868223

O=C(O)C(O)c1cc2ccccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.53
▸ DAO P14920 2/20 0.53
▸ MAPT P10636 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ SRD5A2 P31213 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ALOX5 P09917 1/20 0.51
▸ FLT3 P36888 1/20 0.50
▸ LMNA P02545 4/20 0.47
▸ TP53 P04637 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ DDO Q99489 1/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ EGFR P00533 2/20 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
SCHEMBL15416243 0.84 KDM4E (0.55) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL29875597 0.81 ALOX5 (0.57) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL1767751 0.81 ALOX5 (0.57) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL30508997 0.81 ALOX5 (0.54) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL8003423 0.81 ALOX5 (0.54) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL28337512 0.79 ALOX5 (0.50) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL8573988 0.79 ALOX5 (0.50) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL2661862 0.78 KDM4E (0.49) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL21686469 0.78 ALOX5 (0.55) KDM4EDAOMAPTHPGDSRD5A2
SCHEMBL24358497 0.77 ALOX5 (0.50) KDM4EDAOMAPTHPGDSRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2425356-B1 COMPUTER IMPLEMENTED SYSTEM AND METHOD FOR ASSESSING A NEUROPSYCHIATRIC CONDITION OF A HUMAN SUBJECT CINCINNATI CHILDRENS HOSPITAL MEDICAL CENTER (US) 2019-03-13 — — EP claimed
US-5017584-A Antidepressant 2-(4,5-dihydro-1H-imidazolyl)-dihydro-1H-indoles, -1,2,3,4-tetrahydroquinolines and -1H-indoles, and methods of use thereas STERLING DRUG INC. (US) 1991-05-21 — — US disclosed
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