SCHEMBL7756944

SCHEMBL7756944

Cc1c(C)c(C)c(CNc2ccccc2NC(=O)N2CCN(C)CC2)c(C)c1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 3/20 0.55
HSD17B10 Q99714 3/20 0.55
TDP1 Q9NUW8 1/20 0.55
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
PKM P14618 1/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
EPHX2 P34913 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
SCHEMBL7760053 0.86 POLB (0.50) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL7763257 0.82 L3MBTL1 (0.51) KDM4EALDH1A1KMT2APOLBSMN1; SMN2
SCHEMBL7760905 0.79 KDM4E (0.65) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL7761708 0.79 KDM4E (0.52) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL4306314 0.78 KDM4E (0.67) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL14372224 0.75 NPC1 (0.65) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL4299291 0.75 KDM4E (0.67) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL22218315 0.74 KDM4E (0.65) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL4299533 0.73 KDM4E (0.60) KDM4EALDH1A1HSD17B10TDP1KMT2A
SCHEMBL5464838 0.73 KDM4E (0.60) KDM4EALDH1A1HSD17B10TDP1POLB

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