SCHEMBL6263161

SCHEMBL6263161

Cc1cc(C#N)cc(C(=O)O)c1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
XDH P47989 5/20 0.38
SLC22A12 Q96S37 5/20 0.38
GPR35 Q9HC97 3/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
HTT P42858 1/20 0.36
TTR P02766 1/20 0.36
ALB P02768 1/20 0.36
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL546515 0.83 HMGB1 (0.53) NOTUMKDM4EMEN1KMT2AXDH
SCHEMBL8658135 0.83 KDM4E (0.41) NOTUMKDM4EMEN1KMT2ATDP1
SCHEMBL19358017 0.81 NOTUM (0.39) NOTUMKDM4EMEN1KMT2AXDH
SCHEMBL29669953 0.81 KDM4E (0.59) NOTUMKDM4EMEN1KMT2ATDP1
SCHEMBL951068 0.81 KDM4E (0.59) NOTUMKDM4EMEN1KMT2ATDP1
SCHEMBL23699472 0.81 NOTUM (0.39) NOTUMKDM4EMEN1KMT2ATDP1
Ethane SCHEMBL28184948 0.80 KDM4E (0.58) NOTUMKDM4EMEN1KMT2ATDP1
SCHEMBL11520049 0.79 KDM4E (0.43) NOTUMKDM4EMEN1KMT2ATDP1
SCHEMBL27496792 0.79 GPR35 (0.49) NOTUMKDM4ETDP1XDHSLC22A12
SCHEMBL3758179 0.78 CYP3A4 (0.45) NOTUMKDM4EMEN1KMT2AGPR35

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1583965-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN Pharmacia & Upjohn Company LLC (US) 2005-10-12 EP disclosed
US-20050003449-A1 Method for determining molecular affinities for human serum albumin PHARMACIA & UPJOHN COMPANY 2005-01-06 US disclosed
WO-2004063749-A1 METHOD FOR DETERMINING MOLECULAR AFFINITIES FOR HUMAN SERUM ALBUMIN PHARMACIA & UPJOHN COMPANY LLC (US) 2004-07-29 WO disclosed