SCHEMBL8436775

SCHEMBL8436775

Cn1nc(-n2ncc(C(=O)O)c2N)cc1OC(F)F

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 5/20 0.37
NPC1 O15118 5/20 0.35
RAB9A P51151 4/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
HPGD P15428 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RIPK2 O43353 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
BTK Q06187 1/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33
MAPK14 Q16539 2/20 0.33

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
SCHEMBL8436203 0.87 SPR (0.40) NPC1RAB9AMAPTSMN1; SMN2KMT2A
SCHEMBL8921979 0.85 TSHR (0.53) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL8436843 0.81 MKNK1 (0.36) NPC1RAB9ASMN1; SMN2RIPK2KMT2A
SCHEMBL27417001 0.80 NPC1 (0.30) NPC1RAB9AMAPTHPGDTP53
SCHEMBL8436635 0.79 MAPK1 (0.34) NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8434442 0.78 RAB9A (0.50) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL8432245 0.78 MEN1 (0.35) ALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL8434725 0.77 KMT2A (0.42) NPC1RAB9AMAPTALDH1A1HPGD
SCHEMBL8434097 0.76 TSHR (0.41) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL8433921 0.72 POLB (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5869686-A Substituted pyrazole derivatives, processes for their preparation and their use as herbicides HOECHST SCHERING AGREVO GMBH (DE) 1999-02-09 US disclosed
US-5756424-A POTENTIATION HOECHST SCHERING AGREVO GMBH (DE) 1998-05-26 US disclosed
US-5580986-A HERBICIDES HOECHST SCHERING AGREVO GMBH (DE) 1996-12-03 US disclosed