SCHEMBL7962948

SCHEMBL7962948

NC(=O)c1c(C(F)(F)F)c(-c2cccnc2F)n2c1C(O)CCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.35
ABL1 P00519 2/20 0.34
HCRTR1 O43613 9/20 0.33
TGFBR1 P36897 1/20 0.32
FPR1 P21462 1/20 0.32
FPR2 P25090 1/20 0.32
SMO Q99835 1/20 0.31
MKNK1 Q9BUB5 1/20 0.31
MKNK2 Q9HBH9 1/20 0.31
MAT2A P31153 1/20 0.31
KDM4E B2RXH2 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDK2 Q15119 1/20 0.31
HCRTR2 O43614 1/20 0.31
SLC18A3 Q16572 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
SCHEMBL8327360 0.91 DHODH (0.35) PLAUABL1HCRTR1FPR1FPR2
SCHEMBL7965403 0.90 HCRTR1 (0.34) PLAUABL1HCRTR1FPR1FPR2
SCHEMBL7961238 0.89 ALDH1A1 (0.32) HCRTR1PDK2HCRTR2
SCHEMBL7965416 0.87 ABL1 (0.37) ABL1HCRTR1FPR1FPR2SMO
SCHEMBL7961217 0.86 FPR1 (0.35) PLAUABL1HCRTR1FPR1FPR2
SCHEMBL7953432 0.86 MKNK1 (0.37) PLAUABL1HCRTR1FPR1FPR2
SCHEMBL7963165 0.83 SCN9A (0.34) PLAUABL1HCRTR1MKNK1MKNK2
SCHEMBL7961440 0.83 KDM4E (0.35) PLAUABL1FPR1FPR2MKNK1
SCHEMBL7962136 0.81 KCNMA1 (0.35) ABL1KDM4ELMNAPDK2
SCHEMBL7962238 0.81 CYP11B2 (0.41) ABL1MKNK1MKNK2LMNAPDK2

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
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US claimed
US-6207675-B1 FOR PROPHYLAXIS AND THERAPY OF DISEASES IN WHICH ARE INVOLVED VIRUSES OF THE HERPES FAMILY AND/OR CYTOKINES IN PARTICULAR TUMOR NERCOSIS FACTOR-ALPHA RHONE-POULENC RORER S.A. (FR) 2001-03-27 US disclosed