SCHEMBL13865271

SCHEMBL13865271

NC(=O)CC[C@H](NC(=O)[C@@H]1C[C@H](C(=O)O)C[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)Nc2ccc3ccccc3c2)C1)C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
MEN1 O00255 2/20 0.43
HTR1E P28566 1/20 0.43
HTT P42858 1/20 0.43
S1PR3 Q99500 1/20 0.43
CYP1A2 P05177 7/20 0.41
PLG P00747 1/20 0.41
CTSD P07339 1/20 0.41
CCKBR P32239 1/20 0.40
CYP2C9 P11712 6/20 0.40
CYP3A4 P08684 5/20 0.40
CYP2D6 P10635 4/20 0.40
TSHR P16473 2/20 0.40
KDM1A O60341 1/20 0.39
MAOA P21397 1/20 0.39
CAPN1 P07384 3/20 0.39
S1PR1 P21453 1/20 0.39
CYP2C19 P33261 4/20 0.39
MAPT P10636 3/20 0.39

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
SCHEMBL12856035 0.86 MEN1 (0.46) KMT2ALMNAMEN1HTR1EHTT
SCHEMBL12856086 0.85 KMT2A (0.45) KMT2ALMNAMEN1HTR1EHTT
SCHEMBL13865248 0.84 MEN1 (0.54) KMT2ALMNAMEN1PLGCYP2D6
SCHEMBL12856056 0.84 MEN1 (0.54) KMT2ALMNAMEN1PLGCYP2D6
SCHEMBL12856153 0.83 CAPN1 (0.53) KMT2ALMNAMEN1HTR1EHTT
SCHEMBL12855998 0.79 KMT2A (0.48) KMT2ALMNAMEN1HTR1EHTT
SCHEMBL13865265 0.75 KDM1A (0.46) KMT2ALMNAMEN1CYP1A2PLG
SCHEMBL12856091 0.74 KMT2A (0.42) KMT2ALMNAMEN1HTR1EHTT
SCHEMBL21753952 0.74 MEN1 (0.50) KMT2ALMNAMEN1HTR1EHTT
SCHEMBL166772 0.74 MEN1 (0.50) KMT2ALMNAMEN1HTR1EHTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7534915-B2 Non-symmetrical gelling agent APPLIED NANOSYSTEMS B.V. (NL) 2009-05-19 US disclosed
US-7534915-B2 Non-symmetrical gelling agent APPLIED NANOSYSTEMS B.V. (NL) 2009-05-19 US disclosed