SCHEMBL1116552

SCHEMBL1116552

Cc1nc(S)[nH]c1-c1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.54
CYP11B2 P19099 1/20 0.54
CYP2A6 P11509 6/20 0.46
CYP3A4 P08684 2/20 0.45
NPY5R Q15761 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP1A2 P05177 1/20 0.45
KMT2A Q03164 1/20 0.44
ALK Q9UM73 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
DYRK1A Q13627 1/20 0.41
KDM4E B2RXH2 2/20 0.41
LDHA P00338 1/20 0.41
EPHX2 P34913 1/20 0.41
CYP19A1 P11511 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 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
SCHEMBL7769428 0.80 KDM4E (0.48) CYP3A4NPY5RALDH1A1CYP1A2KMT2A
SCHEMBL11481381 0.79 NPY5R (0.48) CYP11B1CYP11B2CYP2A6CYP3A4NPY5R
SCHEMBL9741082 0.75 NPY5R (0.51) CYP2A6CYP3A4NPY5RALDH1A1CYP1A2
SCHEMBL7367947 0.74 NPY5R (0.63) CYP11B1CYP11B2NPY5RALDH1A1KMT2A
SCHEMBL7370892 0.74 NPY5R (0.57) CYP11B1CYP11B2CYP2A6CYP3A4NPY5R
SCHEMBL7365631 0.74 CYP11B1 (0.53) CYP11B1CYP11B2NPY5RALDH1A1KMT2A
SCHEMBL11267958 0.74 MAPK14 (0.50) CYP11B1CYP3A4ALDH1A1CYP1A2CYP2C9
SCHEMBL20752459 0.72 NPY5R (0.64) CYP11B1CYP11B2CYP2A6CYP3A4NPY5R
SCHEMBL7369715 0.72 CYP11B1 (0.52) CYP11B1CYP11B2NPY5RALDH1A1KMT2A
SCHEMBL7366319 0.72 NPY5R (0.64) CYP11B1CYP11B2NPY5RALDH1A1CYP1A2

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-2280984-A2 SULFATED GALACTANS WITH ANTITHROMBOTIC ACTIVITY, PHARMACEUTICAL COMPOSITION, METHOD FOR TREATING OR PROPHYLAXIS OF ARTERIAL OR VENOUS THROMBOSIS, METHOD OF EXTRACTION AND USE THEREOF S.A. Delta Do Prata (BR) 2011-02-09 EP disclosed
WO-2009137899-A2 SULFATED GALACTANS WITH ANTITHROMBOTIC ACTIVITY, PHARMACEUTICAL COMPOSITION, METHOD FOR TREATING OR PROPHYLAXIS OF ARTERIAL OR VENOUS THROMBOSIS, METHOD OF EXTRACTION AND USE THEREOF S.A. DELTA DO PRATA (BR) 2009-11-19 WO disclosed