SCHEMBL8593274

SCHEMBL8593274

CCNC(=O)c1c[c]cc(C(=O)NCC)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.42
CA12 O43570 1/20 0.39
CA9 Q16790 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGDS O60760 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
PDK2 Q15119 2/20 0.37
BRD4 O60885 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALOX15 P16050 1/20 0.37
RIPK1 Q13546 1/20 0.36

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
SCHEMBL6241333 0.87 ALOX15 (0.39) SMN1; SMN2CA12CA9MAPTRAB9A
SCHEMBL9979308 0.84 SMN1; SMN2 (0.48) SMN1; SMN2CA12CA9KMT2AGAA
SCHEMBL7525232 0.83 ATM (0.44) SMN1; SMN2KMT2AGAAMAPTL3MBTL1
SCHEMBL158021 0.77 GAA (0.41) SMN1; SMN2CA12CA9KMT2AGAA
SCHEMBL16317402 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA9KMT2AGAA
SCHEMBL13714731 0.77 BRD4 (0.44) SMN1; SMN2CA12CA9KMT2AGAA
SCHEMBL19982707 0.77 SMN1; SMN2 (0.43) SMN1; SMN2CA12CA9KMT2AGAA
SCHEMBL9713054 0.77 SMN1; SMN2 (0.67) SMN1; SMN2KMT2AGAAHSD17B10L3MBTL1
SCHEMBL3725252 0.76 GAA (0.39) CA12CA9KMT2AGAAHPGDS
SCHEMBL8592609 0.76 HDAC8 (0.50) SMN1; SMN2ALDH1A1HPGDBRD4

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
US-5827853-A MIXTURE CONTAINING PRODUCT FROM FERMENTATION BY STREPTOMYCES FOR TOPICAL APPLICATION TO SKIN OR HAIR, TO IMPROVE TEXTURE, SURFACE SMOOTHNESS, FIRMNESS SANOFI (FR) 1998-10-27 US disclosed
US-5798351-A USEFUL FOR INHIBITING BONE LOSS, LOWERING SEUM CHOLESTEROL LEVELS AND TREATING HORMONE DEPENDENT MAMMALIAN BREAST AND UTERINE CANCER ELI LILLY AND COMPANY (US) 1998-08-25 US disclosed