SCHEMBL4307200

SCHEMBL4307200

O=C(O)c1ccc2ccc(C(F)(F)F)cc2n1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 1/20 0.53
CNR2 P34972 2/20 0.51
MMP2 P08253 2/20 0.48
PFKFB3 Q16875 1/20 0.47
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 2/20 0.45
HPGD P15428 2/20 0.45
HSD17B10 Q99714 2/20 0.45
MRGPRX4 Q96LA9 1/20 0.44
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
USP2 O75604 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMO O15229 1/20 0.42
IGFBP3 P17936 1/20 0.42
DYRK1A Q13627 1/20 0.41
BACE1 P56817 1/20 0.41
KMT2A Q03164 1/20 0.41
SRD5A2 P31213 1/20 0.41

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
SCHEMBL31329134 1.00 MGAM (0.53) MGAMCNR2MMP2PFKFB3KDM4E
SCHEMBL1285735 0.88 BACE1 (0.56) MGAMCNR2MMP2KDM4EALDH1A1
SCHEMBL12458277 0.83 MGAM (0.53) MGAMCNR2KDM4EALDH1A1HPGD
SCHEMBL16534498 0.81 PFKFB3 (0.49) CNR2PFKFB3KDM4EALDH1A1HPGD
SCHEMBL22346775 0.79 ALDH1A1 (0.56) KDM4EALDH1A1HPGDHSD17B10MRGPRX4
SCHEMBL9441964 0.78 IGFBP3 (0.44) KDM4EALDH1A1HPGDHSD17B10MRGPRX4
SCHEMBL2904601 0.78 IGFBP3 (0.50) KDM4EALDH1A1HPGDHSD17B10PIM1
SCHEMBL12405037 0.77 MGAM (0.63) MGAMCNR2KDM4EALDH1A1HPGD
SCHEMBL7170725 0.77 MGAM (0.58) MGAMCNR2KDM4EALDH1A1HPGD
SCHEMBL26302244 0.76 MGAM (0.43) MGAMCNR2KDM4EMRGPRX4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2024272-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2009-02-18 EP claimed
WO-2007133637-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2007-11-22 WO claimed
US-4389403-A HYPOTENSIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1983-06-21 US disclosed
EP-0037471-A1 1-Aroyl-2-phenylamino-2-imidazolines, their preparation and their pharmaceutical compositions BASF Aktiengesellschaft (DE) 1981-10-14 EP disclosed