SCHEMBL20568892

SCHEMBL20568892

O=C(O)N(C(=O)O)c1cc(Br)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.46
TAS2R14 Q9NYV8 1/20 0.41
ACP1 P24666 1/20 0.40
CES2 O00748 3/20 0.38
TACR1 P25103 2/20 0.38
TMPRSS4 Q9NRS4 2/20 0.36
GPR35 Q9HC97 2/20 0.36
RXRA P19793 2/20 0.35
RXRB P28702 2/20 0.35
RXRG P48443 1/20 0.35
P2RX4 Q99571 2/20 0.34
P2RX7 Q99572 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
KDR P35968 1/20 0.33
P2RX1 P51575 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL12397947 0.78 NOTUM (0.47) NOTUMTAS2R14ACP1CES2TACR1
SCHEMBL1410175 0.76 NOTUM (0.47) NOTUMTAS2R14ACP1CES2TACR1
SCHEMBL12436182 0.75 NOTUM (0.46) NOTUMTAS2R14ACP1CES2TACR1
SCHEMBL6815372 0.73 NOTUM (0.43) NOTUMTAS2R14ACP1CES2TACR1
SCHEMBL30503556 0.73 NOTUM (0.43) NOTUMTAS2R14ACP1CES2TACR1
SCHEMBL494019 0.72 NOTUM (0.64) NOTUMTAS2R14ACP1CES2GPR35
SCHEMBL1973258 0.72 MMP1 (0.39) TMPRSS4L3MBTL1P2RX1LMNA
SCHEMBL1973255 0.72 MMP1 (0.39) TMPRSS4L3MBTL1P2RX1LMNA
SCHEMBL20568968 0.71 TACR1 (0.43) TACR1
SCHEMBL1082212 0.71 NOTUM (0.50) NOTUMTAS2R14ACP1CES2TMPRSS4

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-3630778-A1 NOVEL INHIBITORS OF MAP4K1 Ichnos Sciences SA (CH) 2020-04-08 EP disclosed
WO-2018215668-A1 NOVEL INHIBITORS OF MAP4K1 GLENMARK PHARMACEUTICALS S.A. (CH) 2018-11-29 WO disclosed