SCHEMBL8277471

SCHEMBL8277471

CN(C)CCN(C)C(=N)c1ccc(-c2cc(CNC(=O)C3CC=C(Cl)S3)on2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.43
LMNA P02545 2/20 0.41
HTT P42858 5/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
ALDH1A1 P00352 4/20 0.40
JAK2 O60674 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 2/20 0.38
EPHX2 P34913 3/20 0.37
HPGD P15428 3/20 0.36
MAPT P10636 3/20 0.34
ENPP2 Q13822 1/20 0.33
HDAC4 P56524 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL8279584 0.92 POLB (0.44) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL8280528 0.81 POLB (0.42) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1097027 0.79 MAPK1 (0.47) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3981673 0.75 POLB (0.41) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3981676 0.72 HDAC4 (0.41) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1095504 0.72 HDAC4 (0.38) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1095301 0.72 POLB (0.46) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1096298 0.71 POLB (0.45) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL1096700 0.70 POLB (0.47) POLBLMNAHTTSMN1; SMN2ALDH1A1
SCHEMBL3986984 0.68 HDAC4 (0.42) POLBLMNASMN1; SMN2CYP1A2MAPT

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-2006002099-A2 FACTOR XA INHIBITORS MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-01-05 WO disclosed