SCHEMBL7796637

SCHEMBL7796637

CC(=O)C1c2ccccc2-c2ccc(N)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
NCOR2 Q9Y618 1/20 0.43
POLB P06746 2/20 0.42
NPC1 O15118 3/20 0.42
ALDH1A1 P00352 3/20 0.42
RAB9A P51151 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 1/20 0.41

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
SCHEMBL7043488 0.84 HDAC3 (0.57) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL18760067 0.81 HDAC3 (0.44) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL6307676 0.76 POLB (0.54) HDAC3HDAC4HDAC7HDAC8HDAC6
SCHEMBL27971847 0.76 ALDH1A1 (0.38) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL940449 0.74 ALDH1A1 (0.39) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL1075715 0.73 HTR2B (0.51) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13826222 0.73 KMT2A (0.48) POLBKMT2ACYP1A2
SCHEMBL27503052 0.71 HTR2A (0.42) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL226371 0.71 HTR7 (0.49) POLBNPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL7137182 0.71 HTR7 (0.49) POLBNPC1ALDH1A1RAB9ASMN1; SMN2

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
EP-0835233-B1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS NEN LIFE SCIENCE PROD INC (US) 2001-12-05 EP disclosed
US-5843396-A Method for stabilizing radiolabeled organic compounds by adding a separate stabilizing compound NEN LIFE SCIENCE PRODUCTS, INC. (US) 1998-12-01 US disclosed
EP-0835233-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-15 EP disclosed
US-5738836-A Composition for stabilizing radiolabeled organic compounds E. I. DU PONT DE NEMOURS AND COMPANY (US) 1998-04-14 US disclosed
WO-1997001520-A1 COMPOSITION AND METHOD FOR STABILIZING RADIOLABELED ORGANIC COMPOUNDS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1997-01-16 WO disclosed
WO-1988006445-A1 PROSTAGLANDIN B1, MACROMOLECULES AS ANTI-INFLAMMATORY AGENTS REGELSON WILLIAM (US) 1988-09-07 WO disclosed
US-4411881-A Composition and method for stabilizing radiolabeled compounds using thiocarbonylated diethylenetriamines NEW ENGLAND NUCLEAR CORPORATION (US) 1983-10-25 US disclosed