SCHEMBL3568142

SCHEMBL3568142

CCc1ccc(-c2ccc(-c3nc(C)c(C(=O)O)s3)cc2C#N)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
XDH P47989 13/20 0.64
ABCC4 O15439 1/20 0.59
ABCB11 O95342 1/20 0.59
PGR P06401 1/20 0.59
CHRM1 P11229 1/20 0.59
PDE4A P27815 1/20 0.59
BLVRB P30043 1/20 0.59
TARBP2 Q15633 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
ABCG2 Q9UNQ0 1/20 0.59
KDM4E B2RXH2 2/20 0.53
RAB9A P51151 2/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
DGAT1 O75907 1/20 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
SCHEMBL1331587 0.89 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3379629 0.89 KDM4E (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523320 0.87 RAB9A (0.67) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523322 0.87 XDH (0.63) XDHABCC4ABCB11PGRCHRM1
SCHEMBL1331619 0.86 XDH (0.66) XDHABCC4ABCB11PGRCHRM1
SCHEMBL1357282 0.85 XDH (0.60) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523350 0.84 XDH (0.65) XDHABCC4ABCB11PGRCHRM1
SCHEMBL1359563 0.83 XDH (0.58) XDHABCC4ABCB11PGRCHRM1
SCHEMBL19523289 0.83 XDH (0.64) XDHABCC4ABCB11PGRCHRM1
SCHEMBL3384040 0.83 XDH (0.60) XDHABCC4ABCB11PGRCHRM1

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
US-7816558-B2 Triarylcarboxylic acid derivative ASTELLAS PHARMA INC. (JP) 2010-10-19 US claimed