SCHEMBL6963750

SCHEMBL6963750

[O]C(=O)NNC(=O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.65
NPC1 O15118 5/20 0.65
CTDSP1 Q9GZU7 2/20 0.65
KDM4E B2RXH2 2/20 0.61
POLB P06746 2/20 0.61
PTGS2 P35354 1/20 0.59
SMN1; SMN2 Q16637 4/20 0.57
HDAC3 O15379 1/20 0.56
CA12 O43570 1/20 0.56
CA1 P00915 1/20 0.56
IDO1 P14902 1/20 0.56
ALOX15 P16050 1/20 0.56
HDAC1 Q13547 1/20 0.56
CA9 Q16790 1/20 0.56
HDAC7 Q8WUI4 1/20 0.56
HDAC2 Q92769 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
NCOR2 Q9Y618 1/20 0.56

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
SCHEMBL400890 0.90 RAB9A (0.77) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL12324391 0.87 RAB9A (0.82) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL28875360 0.83 SMN1; SMN2 (0.71) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL3724445 0.83 RAB9A (0.68) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL6967575 0.82 RAB9A (0.61) RAB9ANPC1CTDSP1KDM4EPOLB
Malonic Acid SCHEMBL30274338 0.81 RAB9A (0.65) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL10309466 0.81 SMN1; SMN2 (0.74) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL2897981 0.81 RAB9A (0.65) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL37273 0.80 ALDH1A1 (0.68) RAB9ANPC1CTDSP1KDM4EPOLB
SCHEMBL16438824 0.80 HDAC3 (0.68) RAB9ANPC1CTDSP1KDM4EPOLB

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
EP-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed