SCHEMBL3714775

SCHEMBL3714775

COCCN(C)Cc1ccc(N/C(=C2/C(=O)Nc3cc(C(=O)OC)ccc32)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.41
HDAC1 Q13547 3/20 0.40
HDAC6 Q9UBN7 3/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
F10 P00742 1/20 0.39
LTA4H P09960 3/20 0.39
ACHE P22303 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
BACE1 P56817 1/20 0.38
ESR1 P03372 1/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
THRB P10828 1/20 0.37
BLM P54132 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL2571485 1.00 MCHR1 (0.41) MCHR1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL2571487 1.00 MCHR1 (0.41) MCHR1HDAC1HDAC6KDM4EALDH1A1
SCHEMBL2570281 0.95 ACHE (0.41) MCHR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL2570287 0.95 ACHE (0.41) MCHR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL30708647 0.95 ACHE (0.41) MCHR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL479732 0.94 RXFP1 (0.44) MCHR1HDAC1HDAC6ALDH1A1KMT2A
SCHEMBL479735 0.94 RXFP1 (0.44) MCHR1HDAC1HDAC6ALDH1A1KMT2A
SCHEMBL479733 0.94 RXFP1 (0.44) MCHR1HDAC1HDAC6ALDH1A1KMT2A
SCHEMBL3148338 0.92 KDM4E (0.41) MCHR1KDM4EALDH1A1KMT2AMEN1
SCHEMBL3158720 0.92 LTA4H (0.41) MCHR1KDM4EALDH1A1KMT2AMEN1

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-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed