SCHEMBL8077147

SCHEMBL8077147

C=CCCCCCCCCCN1C(=O)Cc2ccccc2C1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.57
APAF1 O14727 3/20 0.57
MAPT P10636 3/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 2/20 0.57
BLM P54132 2/20 0.57
CASP1 P29466 1/20 0.57
RAB9A P51151 1/20 0.57
CASP7 P55210 1/20 0.57
HSD17B10 Q99714 1/20 0.57
MEN1 O00255 4/20 0.52
HPGD P15428 1/20 0.52
HDAC8 Q9BY41 3/20 0.47
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47

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
SCHEMBL8432181 0.99 KMT2A (0.58) KMT2AAPAF1MAPTGAAALDH1A1
SCHEMBL1020354 0.89 KMT2A (0.62) KMT2AAPAF1MAPTGAAALDH1A1
SCHEMBL606389 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL31036100 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL8072364 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL29545568 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL793609 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL997571 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL30601900 0.82 TDP1 (0.58) KMT2AMEN1HDAC8HDAC3HDAC4
SCHEMBL11852813 0.82 KMT2A (0.61) KMT2AAPAF1MAPTGAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6121270-A N-(EPOXYALKYL)XANTHINE DERIVATIVES WHICH MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI CELL THERAPEUTICS, INC. (US) 2000-09-19 US disclosed
US-5866576-A COMPOUNDS THAT ACT AS DRUGS ON THE CELLULAR AND BIOCHEMICAL LEVEL TO MODULATE CELLULAR RESPONSES TO NOXIOUS, PRO-INFLAMMATORY STIMULI. CELL THERAPEUTICS, INC. (US) 1999-02-02 US disclosed
US-5859017-A PREVENTING OR TREATING ALLERGIES; INHIBITING INTRACELLULAR GENERATION OF PHOSPHATIDIC ACID AND DIACYLGLYCEROL CELL THERAPEUTICS, INC. (US) 1999-01-12 US disclosed
EP-0662834-A4 NOVEL EPOXIDE-CONTAINING COMPOUNDS. CELL THERAPEUTICS INC (US) 1996-04-17 EP disclosed
WO-1995026722-A1 METHOD FOR INHIBITING MAST CELL AND BASOPHIL ACTIVATION CELL THERAPEUTICS, INC. (US) 1995-10-12 WO disclosed
EP-0662834-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1995-07-19 EP disclosed
WO-1994006431-A1 NOVEL EPOXIDE-CONTAINING COMPOUNDS CELL THERAPEUTICS, INC. (US) 1994-03-31 WO disclosed