SCHEMBL6827604

SCHEMBL6827604

C[C@H](CNC(=O)Nc1cccc2cccnc12)CC(=O)N(CCC1CCCC1)CC(=O)NO

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.46
TDP1 Q9NUW8 2/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 3/20 0.40
LMNA P02545 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
UBE2M P61081 1/20 0.37
DCUN1D1 Q96GG9 1/20 0.37
HDAC6 Q9UBN7 2/20 0.37
HDAC3 O15379 1/20 0.37
HDAC2 Q92769 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37

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
SCHEMBL6825358 0.92 HDAC1 (0.47) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825391 0.87 HDAC1 (0.50) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825678 0.83 TAS1R3 (0.42) POLBNPSR1ALDH1A1
SCHEMBL6827601 0.82 HDAC1 (0.45) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6827892 0.82 TDP1 (0.48) HDAC1TDP1LMNAMEN1KMT2A
SCHEMBL6825780 0.81 HDAC1 (0.45) HDAC1TDP1POLBMAPTLMNA
SCHEMBL6825571 0.79 MEN1 (0.37) TDP1POLBMAPTLMNAMEN1
SCHEMBL6827866 0.79 LMNA (0.40) POLBMAPTLMNATRPV1ALDH1A1
SCHEMBL6822351 0.79 LMNA (0.40) POLBMAPTLMNATRPV1ALDH1A1
SCHEMBL6827741 0.79 RAB9A (0.41) LMNAALDH1A1MEN1KMT2ASMN1; SMN2

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 claimed