SCHEMBL7760905

SCHEMBL7760905

Cc1c(C)c(C)c(COc2ccccc2NC(=O)N2CCN(C)CC2)c(C)c1C

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.65
TDP1 Q9NUW8 1/20 0.65
ALDH1A1 P00352 5/20 0.52
HSD17B10 Q99714 4/20 0.52
PKM P14618 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
POLB P06746 2/20 0.48
TSHR P16473 2/20 0.47
USP2 O75604 1/20 0.47
BLM P54132 1/20 0.46
LMNA P02545 1/20 0.45
GLA P06280 1/20 0.45
CTDSP1 Q9GZU7 1/20 0.45
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL7761696 0.87 PKM (0.50) KDM4ETDP1ALDH1A1HSD17B10PKM
SCHEMBL15134832 0.79 KDM4E (1.00) KDM4ETDP1ALDH1A1HSD17B10PKM
SCHEMBL7756951 0.79 NPSR1 (0.52) KDM4EALDH1A1MAPK1SMN1; SMN2KMT2A
SCHEMBL7756944 0.79 KDM4E (0.55) KDM4ETDP1ALDH1A1HSD17B10PKM
SCHEMBL7761708 0.76 KDM4E (0.52) KDM4ETDP1ALDH1A1HSD17B10PKM
SCHEMBL4306314 0.75 KDM4E (0.67) KDM4ETDP1ALDH1A1HSD17B10MAPK1
SCHEMBL28275012 0.73 KDM4E (0.88) KDM4ETDP1ALDH1A1HSD17B10PKM
SCHEMBL14372224 0.72 NPC1 (0.65) KDM4ETDP1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL5472187 0.72 KDM4E (0.63) KDM4ETDP1ALDH1A1HSD17B10PKM
SCHEMBL1574755 0.72 TDP1 (0.56) KDM4ETDP1ALDH1A1HSD17B10SMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6541479-B1 Derivatives of thiosalicylic acid and o-aminobenzoic acid MASSACHUSETTS COLLEGE OF PHARMACY 2003-04-01 US disclosed