SCHEMBL3975210

SCHEMBL3975210

Cc1cc(C(N)=O)c(NCC(F)CF)cc1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 2/20 0.33
MEN1 O00255 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM6B O15054 1/20 0.32
NNMT P40261 1/20 0.32
GRM1 Q13255 1/20 0.31
GABRP O00591 1/20 0.31
GABRD O14764 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31
GABRA3 P34903 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
GABRA4 P48169 1/20 0.31
GABRE P78334 1/20 0.31

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
SCHEMBL2428070 0.83 MEN1 (0.47) CASRMEN1TSHRKMT2AKDM4C
SCHEMBL2423627 0.80 HSP90AA1 (0.37) CASRMEN1KMT2ANNMTGRM1
SCHEMBL4258452 0.79 MEN1 (0.34) CASRMEN1TSHRKMT2AKDM4C
SCHEMBL3973224 0.78 CISD1 (0.36) CASRMEN1TSHRKMT2AKDM4C
SCHEMBL2431005 0.76 CISD1 (0.49) KDM4CKDM6BPLK1KDM4EALDH1A1
SCHEMBL3979062 0.76 CISD1 (0.38) MEN1TSHRKMT2AKDM4CKDM6B
SCHEMBL3975516 0.76 RXRB (0.34) KDM4CNNMTGABRPGABRDGABRA1
SCHEMBL2422460 0.75 JAK2 (0.40) NNMTGABRPGABRDGABRA1GABRB1
SCHEMBL2434508 0.75 CISD1 (0.34) KDM4EALDH1A1
SCHEMBL2430012 0.74 HSP90AA1 (0.35) CASRMEN1KMT2ANNMTGRM1

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-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 EP disclosed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 WO disclosed