SCHEMBL8671560

SCHEMBL8671560

O=C1[N]CC(c2ccccc2OCCC(F)C(F)F)N1

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 2/20 0.30
▸ TP53 P04637 2/20 0.30
▸ GRIN2B Q13224 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ ALDH1A1 P00352 2/20 0.30

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
SCHEMBL8674741 0.88 HTR2C (0.32) SMN1; SMN2KMT2ATP53GRIN2BALDH1A1
SCHEMBL8674222 0.81 GRIN2B (0.33) GRIN2B
SCHEMBL8674251 0.79 GRIN2B (0.33) GRIN2B
SCHEMBL8579032 0.79 GRIN2B (0.34) SMN1; SMN2KMT2ALMNAGRIN2BMAPT
SCHEMBL8584194 0.78 GRIN2B (0.41) KMT2AGRIN2BALDH1A1
SCHEMBL8581317 0.78 GRIN2B (0.37) GRIN2B
SCHEMBL8581218 0.76 SCN9A (0.41) GRIN2B
SCHEMBL8674710 0.71 GRIN2B (0.42) GRIN2B
SCHEMBL8668321 0.69 GRIN2B (0.41) GRIN2B
SCHEMBL5370424 0.62 KMT2A (0.44) SMN1; SMN2KMT2ALMNAMAPTALDH1A1

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-5814324-A OIL IN WATER EMULSION COMPRISING ANTIFUNGAL TRIAZOLE COMPOUND DISPERSED IN WATER WITH FATTY ACID TRIGLYCERIDE, LECITHIN EMULSIFIER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-29 — — US disclosed
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