SCHEMBL8933288

SCHEMBL8933288

CC(c1nnnn1CCc1ccccc1)N(C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CCN(C(=O)OC(C)(C)C)CC1)c1ccc2ccccc2c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.43
KMT2A Q03164 7/20 0.41
MEN1 O00255 5/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
YAP1 P46937 3/20 0.40
CACNA1B Q00975 1/20 0.40
CAPN1 P07384 3/20 0.40
CTSB P07858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
STS P08842 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
SCHEMBL6600523 0.88 ALDH1A1 (0.43) KMT2AMEN1ALDH1A1POLBSMN1; SMN2
SCHEMBL6600370 0.87 CTSS (0.47) KMT2AMEN1ALDH1A1POLBCTSB
SCHEMBL6600519 0.86 YAP1 (0.46) MAPK1KMT2AMEN1ALDH1A1POLB
SCHEMBL6162914 0.77 MAPK1 (0.62) MAPK1KMT2AMEN1YAP1CACNA1B
SCHEMBL6162909 0.77 MAPK1 (0.62) MAPK1KMT2AMEN1YAP1CACNA1B
SCHEMBL8933253 0.72 TACR1 (0.45) KMT2AMEN1ALDH1A1POLBCAPN1
SCHEMBL6600601 0.72 GHSR (0.51) KMT2AMEN1ALDH1A1POLBCTSB
SCHEMBL6600255 0.72 YAP1 (0.45) MAPK1KMT2AMEN1ALDH1A1YAP1
SCHEMBL6600367 0.71 CTSS (0.56) ALDH1A1CTSB
SCHEMBL6601229 0.71 KMT2A (0.45) MAPK1KMT2AMEN1ALDH1A1POLB

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-1996022997-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1996-08-01 WO disclosed