SCHEMBL11783002

SCHEMBL11783002

CCCCCCCCn1cnc(C(F)(F)F)cc1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ LMNA P02545 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ MAPT P10636 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ ALPL P05186 3/20 0.40
▸ ALPI P09923 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ HPGD P15428 1/20 0.38
▸ ADORA2A P29274 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ PTGS1 P23219 3/20 0.37
▸ PTGS2 P35354 3/20 0.37
▸ MGLL Q99685 2/20 0.37
▸ FAAH O00519 1/20 0.37
▸ TLR8 Q9NR97 3/20 0.36

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
SCHEMBL11782878 1.00 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKDM4EHTTMAPT
SCHEMBL11785413 1.00 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKDM4EHTTMAPT
SCHEMBL11784400 0.88 ALDH1A1 (0.39) SMN1; SMN2LMNANPC1RAB9AALPL
SCHEMBL25153650 0.82 ALDH1A1 (0.40) LMNAKDM4EALPLALPIALDH1A1
SCHEMBL2608960 0.74 POLB (0.41) SMN1; SMN2NPC1RAB9AALDH1A1PTGS1
SCHEMBL11782323 0.72 ALDH1A1 (0.42) LMNAL3MBTL1ALPLALPIALDH1A1
SCHEMBL11783018 0.72 ALDH1A1 (0.34) SMN1; SMN2LMNANPC1RAB9AALPL
SCHEMBL11785306 0.72 ALDH1A1 (0.34) LMNAALPLALPIALDH1A1
SCHEMBL11785302 0.72 ALDH1A1 (0.34) LMNAALPLALPIALDH1A1
SCHEMBL11785233 0.71 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKDM4EHTTMAPT

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-3981715-A 2,3,5-Substituted-6-trifluoromethyl-1,3-diazin-4-ones herbicides AMERICAN CYANAMID COMPANY (US) 1976-09-21 — — US disclosed
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