SCHEMBL11706168

SCHEMBL11706168

Nc1nnc(C2CCC(F)CC2)s1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 6/20 0.34
HPGD P15428 3/20 0.34
GFER P55789 2/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 3/20 0.33
GAA P10253 2/20 0.33
USP2 O75604 1/20 0.32
MAPT P10636 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 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
SCHEMBL295263 0.89
SCHEMBL16879368 0.89 SMN1; SMN2 (0.41) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL26132625 0.82 ALDH1A1 (0.34) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL15725217 0.81 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL11554100 0.81 ALDH1A1 (0.46) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL2535265 0.81 SMN1; SMN2 (0.47) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL11682985 0.80 ALDH1A1 (0.37) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL15884423 0.80 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL11683735 0.80 PKM (0.36) SMN1; SMN2ALDH1A1HPGDGFERKDM4E
SCHEMBL11685030 0.80 SMN1; SMN2 (0.35) SMN1; SMN2ALDH1A1HPGDGFERKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4007031-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1977-02-08 US disclosed
US-3990882-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-11-09 US disclosed
US-3944409-A Method of increasing the yield of plants having storage organs by treatment with thiadiazolylimidazolines VELSICOL CHEMICAL CORPORATION (US) 1976-03-16 US disclosed
US-3931209-A HERBICIDES VELSICOL CHEMICAL CORPORATION (US) 1976-01-06 US disclosed