SCHEMBL10683029

SCHEMBL10683029

Nc1ncccc1OC(F)(F)C(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.41
MAPK14 Q16539 1/20 0.41
MET P08581 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
GRM5 P41594 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
MEN1 O00255 1/20 0.32
USP2 O75604 1/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL10683094 0.81 ALDH1A1 (0.43) MAPTALDH1A1TSHRHSD17B10RECQL
SCHEMBL2303054 0.79 LTA4H (0.49) LTA4HMAPK14METNPC1RAB9A
Hydrochloric Acid SCHEMBL29857909 0.78 LTA4H (0.47) LTA4HMAPK14METNPC1RAB9A
SCHEMBL7751671 0.77 ALDH1A1 (0.46) MAPTALDH1A1TSHRHSD17B10RECQL
SCHEMBL2940314 0.76 ALDH1A1 (0.41) MAPTSMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL875558 0.76 LTA4H (0.50) LTA4HMAPK14METNPC1RAB9A
SCHEMBL875218 0.72 NPC1 (0.46) LTA4HMAPK14METNPC1RAB9A
SCHEMBL67670 0.72 MET (0.49) LTA4HMAPK14METNPC1RAB9A
SCHEMBL7751907 0.70 ALDH1A1 (0.41) MAPTHTTSMN1; SMN2ALDH1A1TSHR
SCHEMBL22234884 0.69 LTA4H (0.54) LTA4HMAPK14METNPC1RAB9A

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-4756739-A Herbicides HOECHST AKTIENGESELLSCHAFT (DE) 1988-07-12 US disclosed
EP-0227047-A2 Pyridine derivatives and their N-oxides, process for their preparation and their use as intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1987-07-01 EP disclosed