SCHEMBL8319159

SCHEMBL8319159

O=c1[nH]c(=O)n(-c2cccc(O)c2)c(=O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ESR1 P03372 1/20 0.45
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
ERO1A Q96HE7 1/20 0.42
TDP2 O95551 1/20 0.41
ALDH1A1 P00352 3/20 0.41
MCL1 Q07820 1/20 0.41
OPRM1 P35372 1/20 0.40
LMNA P02545 1/20 0.40
HSP90AA1 P07900 2/20 0.40
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39

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
SCHEMBL9799805 0.79 KDM4E (0.59) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL9559146 0.78 HSP90AA1 (0.62) GAAKDM4EHSD17B10MEN1KMT2A
SCHEMBL10790349 0.76 ESR2 (0.51) GAAKDM4EESR1HSD17B10MEN1
SCHEMBL2337291 0.76 GSK3A (0.67) GAAKDM4EHSD17B10MEN1KMT2A
Resorcinol SCHEMBL27713678 0.75 CA12 (0.63) HSD17B10KMT2AALDH1A1LMNA
SCHEMBL8321111 0.75 CYP1A2 (0.65) GAAKDM4EMEN1KMT2AALDH1A1
SCHEMBL760394 0.75 HSD17B10 (0.55) GAAKDM4ENPC1RAB9AESR1
SCHEMBL11711805 0.74 GSK3A (0.64) GAAKDM4EHSD17B10MEN1KMT2A
SCHEMBL23120949 0.73 CRBN (0.65) KDM4ENPC1RAB9AESR1HSD17B10
SCHEMBL22093097 0.72 MAT2A (0.72) GAAKDM4EMEN1KMT2AERO1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US claimed
CN-118772635-A Resin composition 味之素株式会社 2024-10-15 CN disclosed
CN-118772634-A Resin composition 味之素株式会社 2024-10-15 CN disclosed
US-5883282-A UREA CHEMICAL INTERMEDIATES; RICE AMERICAN CYANAMID COMPANY (US) 1999-03-16 US disclosed
US-5763605-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1998-06-09 US disclosed
US-5670641-A 3-(3-aryloxyphenyl)-1-(substituted methyl)-S-triazine-2,4,6-oxo or thiotrione herbicidal agents AMERICAN CYANAMID COMPANY (US) 1997-09-23 US disclosed
US-5654256-A PREEMERGENCE, POSTEMERGENCE HERBICIDES AMERICAN CYANAMID COMPANY (US) 1997-08-05 US disclosed
US-5604180-A RICE CROPS AMERICAN CYANAMID COMPANY 1997-02-18 US disclosed
US-5519133-A CYCLIZATION, ALKYLATION AMERICAN CYANAMID CO. (US) 1996-05-21 US disclosed