SCHEMBL479770

SCHEMBL479770

COC(=O)c1ccc2c(c1)NC(=O)C2=CCCNc1ccc(C(C)(C)N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
PDPK1 O15530 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
AURKA O14965 1/20 0.39
RAF1 P04049 1/20 0.39
AURKB Q96GD4 5/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
TGM2 P21980 2/20 0.38
POLB P06746 2/20 0.37
CSF1R P07333 2/20 0.37
FLT3 P36888 2/20 0.37
ALDH1A1 P00352 1/20 0.36
LMNA P02545 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
SCHEMBL479847 0.94 PDPK1 (0.39) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL479559 0.92 RXFP1 (0.41) KMT2AAURKBTGM2CSF1RFLT3
SCHEMBL479405 0.88 PIM1 (0.43) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL479406 0.88 PIM1 (0.43) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL479687 0.84 TGM2 (0.34) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL479768 0.84 PSEN1 (0.40) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL2121227 0.83 KMT2A (0.43) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL16752524 0.81 AURKA (0.38) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL16752525 0.81 AURKA (0.38) KMT2APDPK1CTDSP1AURKARAF1
SCHEMBL479775 0.79 TGM2 (0.33) KMT2APDPK1CTDSP1AURKARAF1

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
EP-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed