SCHEMBL6922133

SCHEMBL6922133

CC(C)(C)[C@H](NC(=O)Nc1cccc2ncccc12)C(=O)N(CC(=O)NO)CC1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.45
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TRPV1 Q8NER1 2/20 0.40
PABPC1 P11940 2/20 0.39
EIF4H Q15056 2/20 0.39
HDAC3 O15379 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL6923084 0.88 HDAC1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6922062 0.87 SMN1; SMN2 (0.38) ALDH1A1LMNAHTTSMN1; SMN2MEN1
SCHEMBL6825085 0.86 HDAC1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6824912 0.85 KDM4E (0.35) P2RX7KDM4E
SCHEMBL6825244 0.82 MEN1 (0.41) MEN1KMT2A
SCHEMBL6825943 0.82 KMT2A (0.44) ALDH1A1MEN1KMT2AHDAC3HDAC6
SCHEMBL6822301 0.82 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL6822309 0.82 TAS1R3 (0.47)
SCHEMBL6825963 0.82 ALDH1A1 (0.46) ALDH1A1LMNASMN1; SMN2MEN1KMT2A
SCHEMBL7069145 0.81 P2RX7 (0.44) P2RX7CCNE1CDK2CDK5ALDH1A1

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