SCHEMBL1096596

SCHEMBL1096596

O=C(NCc1cc(-c2ccc(C(N3CCC3)=[N+]3CCC3)cc2)no1)c1ccc(Cl)s1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.41
HTT P42858 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
JAK2 O60674 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 1/20 0.37
MAPT P10636 1/20 0.37
CYP1A2 P05177 1/20 0.37
F10 P00742 10/20 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
SCHEMBL1106532 0.87 POLB (0.45) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1097341 0.86 POLB (0.46) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1095346 0.85 POLB (0.45) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1096412 0.84 POLB (0.44) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1096876 0.84 USP30 (0.38) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL18306498 0.81 POLB (0.41) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1096148 0.81 POLB (0.52) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1095511 0.80 F10 (0.55) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1095698 0.79 HPGD (0.53) POLBALDH1A1HTTSMN1; SMN2JAK2
SCHEMBL1096444 0.79 POLB (0.65) POLBALDH1A1HTTSMN1; SMN2JAK2

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-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US claimed
US-8153670-B2 Factor Xa inhibitors MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-04-10 US disclosed