SCHEMBL6201606

SCHEMBL6201606

N#Cc1ccc(C(=O)O)c(-c2cc(Cl)cc(Cl)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
XDH P47989 12/20 0.46
SLC22A12 Q96S37 12/20 0.46
ACLY P53396 1/20 0.42
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
FLT1 P17948 1/20 0.40
FLT4 P35916 1/20 0.40
KDR P35968 1/20 0.40
TRPM4 Q8TD43 1/20 0.40
RXRG P48443 1/20 0.40
EIF4E P06730 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
SCHEMBL27307967 0.85 SLC22A12 (0.48) XDHSLC22A12EIF4E
SCHEMBL29038974 0.83 SLC22A12 (0.54) XDHSLC22A12
SCHEMBL9256985 0.82 SLC22A12 (0.56) XDHSLC22A12
SCHEMBL5089124 0.77 MAOA (0.50) ACLYRXRARXRBRXRG
SCHEMBL508503 0.76 TSHR (0.57) XDHSLC22A12FLT1FLT4KDR
SCHEMBL593271 0.76 ACLY (0.54) ACLYRXRARXRB
SCHEMBL3818624 0.75 EIF4E (0.52) XDHSLC22A12FLT1FLT4KDR
SCHEMBL3157619 0.74 XDH (0.53) XDHSLC22A12TRPM4
SCHEMBL411720 0.73 HNF4A (0.52) RXRARXRB
SCHEMBL2225438 0.73 ALDH1A1 (0.57) XDHSLC22A12FLT1FLT4KDR

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-1395259-A4 URAZOLE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL MYERS SQUIBB CO (US) 2005-01-26 EP claimed
EP-1395259-A2 URAZOLE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2004-03-10 EP claimed
WO-2002094186-A2 URAZOLE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-11-28 WO claimed