SCHEMBL8717618

SCHEMBL8717618

Cc1ccc(NCC(=O)NC2CCCc3ccccc3N2C(=O)c2ccccc2)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
LMNA P02545 7/20 0.40
ALDH1A1 P00352 5/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 3/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 2/20 0.38
XIAP P98170 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MMP2 P08253 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
SCHEMBL8713944 0.87 NPC1 (0.41) KMT2ALMNAALDH1A1POLBTP53
SCHEMBL8716877 0.83 POLB (0.45) HTTLMNAALDH1A1POLBTP53
SCHEMBL8718456 0.79 ALDH1A1 (0.48) KMT2ALMNAALDH1A1MEN1MAPK1
SCHEMBL8717614 0.78 KMT2A (0.41) KMT2AGAAHTTLMNAALDH1A1
SCHEMBL8714949 0.78 KMT2A (0.54) KMT2AHTTLMNAALDH1A1MEN1
SCHEMBL8715144 0.78 CFD (0.39) LMNATP53
SCHEMBL8714614 0.77 MEN1 (0.52) KMT2AHTTLMNAALDH1A1POLB
SCHEMBL8715313 0.75 ALDH1A1 (0.47) KMT2ALMNAALDH1A1POLBMEN1
SCHEMBL8718493 0.74 ALDH1A1 (0.42) HTTLMNAALDH1A1TP53HPGD
SCHEMBL8718127 0.73 TAOK1 (0.54) KMT2AGAAHTTLMNAALDH1A1

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