SCHEMBL8713941

SCHEMBL8713941

Cc1ccc(NCC(=O)NN2c3ccccc3CCCC2C(=O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ATM Q13315 1/20 0.39
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
PTGS2 P35354 1/20 0.37
DHODH Q02127 1/20 0.37
HPGD P15428 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
SCHEMBL8715140 0.89 HDAC3 (0.38) POLBLMNAGAAALDH1A1TP53
SCHEMBL8717614 0.87 KMT2A (0.41) POLBLMNAGAAALDH1A1NPC1
SCHEMBL8718454 0.83 ALDH1A1 (0.48) LMNAALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL8716872 0.82 POLB (0.45) POLBLMNAALDH1A1HPGD
SCHEMBL8715310 0.80 ALDH1A1 (0.46) POLBGAAALDH1A1NPC1KMT2A
SCHEMBL8714612 0.78 ALDH1A1 (0.51) POLBLMNAALDH1A1NPSR1NPC1
SCHEMBL8714945 0.77 KMT2A (0.57) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL8718492 0.77 MAPT (0.42) LMNAALDH1A1TP53KMT2AMEN1
SCHEMBL8713944 0.77 NPC1 (0.41) POLBLMNAALDH1A1NPSR1NPC1
SCHEMBL8718123 0.74 TAOK1 (0.51) POLBGAAALDH1A1NPSR1NPC1

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-5753677-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed