SCHEMBL14972759

SCHEMBL14972759

O=C(O)c1cc2ccc(C(F)(F)F)nc2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.41
HPGD P15428 3/20 0.41
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 3/20 0.41
APEX1 P27695 2/20 0.41
TSHR P16473 2/20 0.41
LMNA P02545 2/20 0.41
NFKB1 P19838 2/20 0.41
PDPK1 O15530 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
DAO P14920 3/20 0.41
MAPT P10636 1/20 0.41
SRD5A2 P31213 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
KMT2A Q03164 1/20 0.41
EIF4A3 P38919 2/20 0.39
SMAD3 P84022 1/20 0.39
F7 P08709 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
SCHEMBL1100878 0.77 SYK (0.38) HPGDCYP2C19P2RX7
SCHEMBL30189253 0.76 KDM4E (0.47) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL831575 0.76 KDM4E (0.47) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL27554477 0.76 SMAD3 (0.47) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL27554440 0.76 EIF4A3 (0.46) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL28263981 0.76 KDM4E (0.46) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL25232378 0.75 PIN1 (0.49) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL16402103 0.75 TSHR (0.51) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL30898812 0.75 HRH4 (0.53) HSD17B10HPGDKDM4EALDH1A1APEX1
SCHEMBL1988496 0.75 HRH4 (0.53) HSD17B10HPGDKDM4EALDH1A1APEX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125811-B1 N-(AMINO-HETEROARYL)-1H-PYRROLOPYRIDINE-2-CARBOXAMIDES DERIVATIVES, PREPARATION THEREOF AND THEIR USE IN THERAPY SANOFI SA (FR) 2013-05-29 EP disclosed