SCHEMBL7069145

SCHEMBL7069145

CC(C)(CNC(=O)Nc1cccc2ncccc12)CC(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.44
CCNE1 P24864 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
TRPV1 Q8NER1 2/20 0.40
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
PABPC1 P11940 2/20 0.39
EIF4H Q15056 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RECQL P46063 1/20 0.37
KDM4E B2RXH2 1/20 0.36
S1PR1 P21453 1/20 0.36

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
SCHEMBL7065659 0.88 HDAC1 (0.47) TRPV1SMN1; SMN2LMNAHTTMEN1
SCHEMBL7064899 0.88 OPRM1 (0.39) ALDH1A1SMN1; SMN2LMNAHTTMEN1
SCHEMBL6825098 0.86 HDAC1 (0.47) TRPV1SMN1; SMN2LMNAHTTMEN1
SCHEMBL6824917 0.85 KDM4E (0.35) P2RX7KDM4E
SCHEMBL6822302 0.82 KMT2A (0.40) CDK5ALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL6822311 0.82 NPC1 (0.40) HDAC6
SCHEMBL6825944 0.82 KMT2A (0.43) MEN1KMT2AHDAC3HDAC6
SCHEMBL6822127 0.82 KMT2A (0.44) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL6922133 0.81 P2RX7 (0.45) P2RX7CCNE1CDK2CDK5TRPV1
SCHEMBL6825617 0.81 NPC1 (0.42) ALDH1A1SMN1; SMN2LMNAHTTHDAC6

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
WO-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO disclosed