SCHEMBL1289902

SCHEMBL1289902

O=C(CNC(=O)OCc1ccccc1)NCC(F)(F)F.O=C(n1ccnc1)n1ccnc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPK1 P28482 1/20 0.41
POLB P06746 1/20 0.40
KDM1A O60341 1/20 0.40
RCOR1 Q9UKL0 1/20 0.40
FUCA1 P04066 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRSS1 P07477 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PREP P48147 2/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL1289835 0.84 ALDH1A1 (0.55) MCHR1ALDH1A1MAPK1KDM1ARCOR1
SCHEMBL1710151 0.82 POLB (0.49) ALDH1A1MAPK1POLBKDM1ARCOR1
SCHEMBL8149899 0.78 LMNA (0.59) ALDH1A1POLBCTSLCTSBCTSS
SCHEMBL7466451 0.74 HTT (0.61) POLBLMNASMN1; SMN2TPSAB1TPSD1
SCHEMBL24297219 0.72 ALDH1A1 (0.55) MCHR1ALDH1A1MAPK1KDM1ARCOR1
SCHEMBL31550489 0.71 LMNA (0.51) ALDH1A1MAPK1KDM1ARCOR1FUCA1
SCHEMBL432657 0.71 KMT2A (0.49) ALDH1A1MAPK1POLBLMNASMN1; SMN2
SCHEMBL19031286 0.70 SMN1; SMN2 (0.50) ALDH1A1CTSLCTSBCTSSCTSK
SCHEMBL31550495 0.70 ALDH1A1 (0.62) ALDH1A1MAPK1KDM1ARCOR1FUCA1
SCHEMBL30980576 0.70 LMNA (0.64) POLBLMNASMN1; SMN2HRH4HTT

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
EP-2621894-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE E.I. Du Pont De Nemours And Company (US) 2013-08-07 EP disclosed
WO-2012047543-A1 METHOD FOR PREPARING 2-AMINO-N-(2,2,2-TRIFLUOROETHYL) ACETAMIDE E.I. DU PONT DE NEMOURS AND COMPANY (US) 2012-04-12 WO disclosed