SCHEMBL4935771

SCHEMBL4935771

C=CCN(CC=C)C(=O)Nc1cc(C)cc(C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.55
LMNA P02545 2/20 0.50
NPSR1 Q6W5P4 3/20 0.48
ALDH1A1 P00352 1/20 0.47
HTT P42858 1/20 0.44
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL11640066 0.84 MAPT (0.53) MAPTNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL4940323 0.80 MAPT (0.58) MAPTLMNANPSR1ALDH1A1HDAC3
SCHEMBL3434565 0.77 MAPT (0.56) MAPTLMNANPSR1ALDH1A1MEN1
SCHEMBL11318988 0.77 MAPT (0.46) MAPTNPSR1ALDH1A1CYP1A2CYP3A4
SCHEMBL2450680 0.76 CYP1A2 (0.65) MAPTLMNANPSR1ALDH1A1CYP1A2
SCHEMBL4939290 0.75 NPSR1 (0.53) MAPTLMNANPSR1ALDH1A1CYP1A2
SCHEMBL4937220 0.75 KMT2A (0.55) MAPTLMNANPSR1ALDH1A1HTT
SCHEMBL16263502 0.74 HPGD (0.42) LMNAALDH1A1HDAC1HDAC6MEN1
SCHEMBL11140844 0.73 CA12 (0.48) NPSR1HTTCYP1A2CYP3A4HDAC3
SCHEMBL9504490 0.73 MAPT (0.62) MAPTLMNANPSR1ALDH1A1HTT

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-20080308492-A1 Filter Medium for Technical Applications, and Method for the Production Thereof MAHLE INTERNATIONAL GMBH (DE) 2008-12-18 US claimed
US-20080308492-A1 Filter Medium for Technical Applications, and Method for the Production Thereof MAHLE INTERNATIONAL GMBH (DE) 2008-12-18 US disclosed