SCHEMBL4194012

SCHEMBL4194012

Cc1cccnc1Oc1cccc(CO)c1.OCc1cccc(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PPARG P37231 1/20 0.42
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
MGLL Q99685 1/20 0.40
KDR P35968 2/20 0.40
GPBAR1 Q8TDU6 1/20 0.39
CYSLTR1 Q9Y271 1/20 0.39
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA3 P34903 1/20 0.39
GABRA2 P47869 1/20 0.39
GABRB2 P47870 1/20 0.39
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RET P07949 1/20 0.38
KIF5B P33176 1/20 0.38

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
SCHEMBL1009800 0.93 KMT2A (0.48) F10MEN1KMT2APPARGNR1H2
SCHEMBL3288563 0.80 F10 (0.47) F10PPARG
SCHEMBL1012080 0.80 PPARG (0.41) F10MEN1KMT2APPARG
SCHEMBL20406488 0.78 KMT2A (0.59) MEN1KMT2A
SCHEMBL13452626 0.77 F10 (0.44) F10MEN1KMT2ANR1H2NR1H3
SCHEMBL30979261 0.75 GABRA1 (0.49) NR1H2NR1H3MGLLGPBAR1CYSLTR1
SCHEMBL29215397 0.75 GABRA1 (0.49) NR1H2NR1H3MGLLGPBAR1CYSLTR1
SCHEMBL15494613 0.74 TGFBR1 (0.43) F10MEN1KMT2ANR1H2NR1H3
SCHEMBL3167158 0.74 F10 (0.42) F10MEN1KMT2AGPBAR1CYSLTR1
SCHEMBL3174045 0.73 TDP1 (0.67) KMT2ASMN1; SMN2

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
EP-2076508-A2 BIARYL ETHER UREA COMPOUNDS Pfizer Products Inc. (US) 2009-07-08 EP disclosed
WO-2008047229-A2 BIARYL ETHER UREA COMPOUNDS PFIZER PRODUCTS INC. (US) 2008-04-24 WO disclosed