SCHEMBL8488501

SCHEMBL8488501

CCCCC(=O)Nc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
ALDH1A1 P00352 1/20 0.54
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
MEN1 O00255 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
KMT2A Q03164 1/20 0.51
RORC P51449 3/20 0.50
TP53 P04637 1/20 0.50
SOAT1 P35610 3/20 0.49
HDAC3 O15379 2/20 0.49
HDAC4 P56524 2/20 0.49
HDAC1 Q13547 2/20 0.49
HDAC7 Q8WUI4 2/20 0.49
HDAC2 Q92769 2/20 0.49
HDAC10 Q969S8 2/20 0.49
HDAC11 Q96DB2 2/20 0.49
HDAC8 Q9BY41 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49

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
SCHEMBL7021891 0.81 HDAC3 (0.52) GAAKMT2AHDAC3HDAC4HDAC1
SCHEMBL4342180 0.79 ESR2 (0.56) ALDH1A1NPC1RAB9AMEN1POLB
SCHEMBL20108460 0.79 ALDH1A1 (0.72) TSHRALDH1A1NPC1RAB9APOLB
SCHEMBL9372218 0.78 TSHR (1.00) TSHRALDH1A1MEN1POLBGAA
SCHEMBL7022742 0.77 ESR2 (0.47) ALDH1A1NPC1RAB9AGAAKMT2A
SCHEMBL14744445 0.76 RORC (0.71) RORC
SCHEMBL28466152 0.76 LTB4R2 (0.52) TSHRALDH1A1POLBHDAC3HDAC4
SCHEMBL2183716 0.75 ALDH1A1 (0.76) ALDH1A1SOAT1HDAC3HDAC4HDAC1
SCHEMBL16495929 0.75 TSHR (0.46) TSHRRORCESR2
SCHEMBL11660177 0.74 ALDH1A1 (0.73) ALDH1A1SOAT1HDAC3HDAC4HDAC1

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-7439261-B2 Process for the preparation of valsartan and intermediates thereof DIPHARMA S.P.A. (IT) 2008-10-21 US disclosed
EP-1533305-A1 A process for the preparation of valsartan and intermediates thereof Dipharma S.p.A. (IT) 2005-05-25 EP disclosed