SCHEMBL8884154

SCHEMBL8884154

CC(=O)NCCc1ccc(-c2ncccc2C(=O)c2cccnc2-c2ccc(CCNC(C)=O)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
F13A1 P00488 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MTNR1A P48039 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
PTGS1 P23219 1/20 0.43
BLM P54132 1/20 0.43
HIF1A Q16665 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACACB O00763 6/20 0.43
EGLN1 Q9GZT9 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
SCHEMBL8884163 0.82 KDM4E (0.48) KDM4EF13A1SMN1; SMN2KMT2AMEN1
SCHEMBL9002107 0.76 SMN1; SMN2 (0.53) KDM4ESMN1; SMN2KMT2AMEN1POLB
SCHEMBL10592850 0.74 KDM4E (0.84) KDM4EF13A1SMN1; SMN2MTNR1AALDH1A1
SCHEMBL8882957 0.74 TBXA2R (0.56) KMT2AMEN1
SCHEMBL9002411 0.74 TRPV1 (0.51) KDM4ESMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL10066080 0.74 KDM4E (0.66) KDM4EF13A1SMN1; SMN2KMT2AMEN1
SCHEMBL11040313 0.72 KDM4E (0.51) KDM4EF13A1SMN1; SMN2KMT2AMTNR1A
SCHEMBL10969548 0.71 RORB (0.60) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL11350077 0.70 TRPV1 (0.49) KDM4ESMN1; SMN2POLBALDH1A1LMNA
SCHEMBL11713261 0.70 KDM4E (0.89) KDM4EF13A1SMN1; SMN2ALDH1A1LMNA

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
US-5681961-A TREATMENT AND/OR PREVENTION OF THROMBOEMBOLIC DISORDERS, ARTERIOSCLEROSIS, METASTASIS. ISCHEMIA, ASTHMA, ALLERGIES DR. KARL THOMAE GMBH (DE) 1997-10-28 US disclosed
US-5426119-A Thromboxane antagonists DR. KARL THOMAE GMBH (DE) 1995-06-20 US disclosed
US-5294626-A Thromboxane synthesis inhibitors and anticoagulants DR. KARL THOMAS GMBH (DE) 1994-03-15 US disclosed