SCHEMBL1096609

SCHEMBL1096609

CN(Cc1cc(-c2ccc(C=NN3CCC3)cc2)no1)C(=O)c1ccc(Cl)s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL1096037 0.83 POLB (0.43) SMN1; SMN2ALDH1A1KDM4EHDAC3HDAC4
SCHEMBL1106534 0.81 USP30 (0.40) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL8277542 0.81 USP30 (0.39) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL1096781 0.80 USP30 (0.40) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL1096337 0.79 USP30 (0.39) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL1096416 0.79 USP30 (0.40) USP30SMN1; SMN2ALDH1A1CHRNB2CHRNA4
SCHEMBL1096876 0.78 USP30 (0.38) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL1096810 0.77 POLB (0.39) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL1096532 0.75 POLB (0.40) USP30SMN1; SMN2RAB9AALDH1A1CHRNB2
SCHEMBL1096239 0.75 POLB (0.38) USP30SMN1; SMN2RAB9AALDH1A1HDAC3

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