SCHEMBL8345339

SCHEMBL8345339

O=C(O)c1cnc(Cc2ccc(F)cc2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
ABL1 P00519 1/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
P4HTM Q9NXG6 1/20 0.41
DAO P14920 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
NR4A2 P43354 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL11782006 0.85 PTGER1 (0.46) HCAR2ABL1NPC1RAB9ASMN1; SMN2
SCHEMBL27905848 0.84 PTGDR2 (0.47) HCAR2PTGDR2ABL1NPC1RAB9A
SCHEMBL28849093 0.84 HCAR2 (0.42) HCAR2NPC1RAB9AKDM4EALDH1A1
SCHEMBL29846096 0.82 HCAR2 (0.48) HCAR2NR4A2
SCHEMBL28854654 0.82 HCAR2 (0.48) HCAR2NR4A2
SCHEMBL29631019 0.76 NPC1 (0.45) HCAR2ABL1NPC1RAB9AMEN1
SCHEMBL20894099 0.76 NPC1 (0.45) HCAR2ABL1NPC1RAB9AMEN1
SCHEMBL16703334 0.76 PTPN11 (0.59) HCAR2NPC1RAB9ASMN1; SMN2DAO
SCHEMBL9642872 0.74 HCAR2 (0.52) HCAR2DAOHDAC6KDM4EALDH1A1
SCHEMBL14109159 0.74 GPR52 (0.50) ABL1HDAC6NR4A2

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
US-5888941-A Carbozamides with antifungal activity J. URIACH & CIA. S.A. (ES) 1999-03-30 US disclosed