SCHEMBL20169847

SCHEMBL20169847

CCOC(=O)Nc1cccc(C(N)=O)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.65
LMNA P02545 2/20 0.62
MAPK1 P28482 2/20 0.62
MAPT P10636 1/20 0.62
HSD17B10 Q99714 1/20 0.62
HPGD P15428 3/20 0.61
RAB9A P51151 2/20 0.61
NPC1 O15118 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C9 P11712 1/20 0.61
CYP2C19 P33261 1/20 0.61
ALDH1A1 P00352 2/20 0.59
HDAC3 O15379 1/20 0.58
HDAC4 P56524 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC7 Q8WUI4 1/20 0.58
HDAC2 Q92769 1/20 0.58
HDAC10 Q969S8 1/20 0.58
HDAC11 Q96DB2 1/20 0.58
HDAC8 Q9BY41 1/20 0.58

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
SCHEMBL10747742 0.88 HPGD (0.78) SMN1; SMN2LMNAMAPK1MAPTHSD17B10
SCHEMBL8490672 0.88 HPGD (0.64) SMN1; SMN2LMNAMAPK1HPGDRAB9A
SCHEMBL11655759 0.86 SMN1; SMN2 (0.80) SMN1; SMN2LMNAMAPK1MAPTHSD17B10
SCHEMBL10658594 0.86 LMNA (0.68) SMN1; SMN2LMNAMAPK1MAPTHSD17B10
SCHEMBL7565149 0.85 MAPK1 (0.81) SMN1; SMN2LMNAMAPK1MAPTHSD17B10
SCHEMBL30444110 0.85 SMN1; SMN2 (0.73) SMN1; SMN2LMNAMAPK1MAPTHSD17B10
SCHEMBL699052 0.85 SMN1; SMN2 (0.65) SMN1; SMN2LMNAMAPK1MAPTHSD17B10
SCHEMBL7309848 0.84 PARP1 (0.64) MAPK1RAB9ACYP1A2ALDH1A1KMT2A
SCHEMBL882828 0.84 RAB9A (0.72) SMN1; SMN2LMNAMAPK1MAPTHPGD
SCHEMBL832082 0.84 RAB9A (0.64) SMN1; SMN2LMNAMAPK1HPGDRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9974859-B2 Nanostructured gels capable of controlled release of entrapped agents THE BRIGHAM AND WOMEN'S HOSPITAL, INC. (US) 2018-05-22 US disclosed