SCHEMBL8646209

SCHEMBL8646209

CC(CO)(NCCCn1ccnc1)c1ccc(C(=O)NC2CCCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.51
QPCT Q16769 1/20 0.51
SMN1; SMN2 Q16637 5/20 0.47
NPC1 O15118 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
ALDH1A1 P00352 2/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.46
POLB P06746 2/20 0.46
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2D6 P10635 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
HTT P42858 3/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPK1 P28482 1/20 0.45

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
SCHEMBL7879609 0.89 GAA (0.53) GAAQPCTSMN1; SMN2NPC1MEN1
SCHEMBL7868525 0.79 QPCT (0.51) GAAQPCTSMN1; SMN2NPC1MEN1
SCHEMBL8648272 0.78 GAA (0.54) GAASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL7875125 0.78 KMT2A (0.43) GAAQPCTSMN1; SMN2NPC1KMT2A
SCHEMBL9021076 0.77 GAA (0.41) GAAQPCTSMN1; SMN2MEN1KMT2A
SCHEMBL8226157 0.75 NPC1 (0.57) SMN1; SMN2NPC1KMT2APOLBCYP1A2
SCHEMBL8646520 0.72 SMN1; SMN2 (0.50) GAAQPCTSMN1; SMN2NPC1MEN1
SCHEMBL8646206 0.72 GAA (0.42) GAAQPCTSMN1; SMN2NPC1KMT2A
SCHEMBL13762099 0.72 MEN1 (0.78) GAASMN1; SMN2NPC1MEN1KMT2A
SCHEMBL21098369 0.69 SMN1; SMN2 (0.89) GAASMN1; SMN2NPC1MEN1KMT2A

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-5780642-A NON-STEROIDAL ANTIINFLAMMATORY AGENT WHICH BLOCKS RELEASE OF ARACHIDONIC ACID FROM PHOSPHOLIPIDS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 1998-07-14 US disclosed