SCHEMBL5772527

SCHEMBL5772527

CN(C)CC(=C=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.44
CES2 O00748 1/20 0.44
CES1 P23141 1/20 0.44
PTPN1 P18031 2/20 0.42
GSK3B P49841 2/20 0.42
SRD5A2 P31213 2/20 0.40
NR4A1 P22736 1/20 0.39
NR4A2 P43354 1/20 0.39
NR4A3 Q92570 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TRPV4 Q9HBA0 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP1 P03956 1/20 0.37

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
SCHEMBL5771539 0.81 CES2 (0.50) CES2SRD5A2MEN1KMT2A
SCHEMBL5666967 0.80 SLC6A4 (0.45) LSSMEN1KMT2A
SCHEMBL5774143 0.77 HTT (0.40) MEN1KMT2A
SCHEMBL26921675 0.77 PTPN1 (0.59) LSSCES2CES1PTPN1GSK3B
SCHEMBL4592149 0.77 GAA (0.50) CES2
SCHEMBL290340 0.75 CES2 (0.46) CES2CES1GSK3BMEN1KMT2A
SCHEMBL5567586 0.73 SMN1; SMN2 (0.41) RAB9AMEN1KMT2A
SCHEMBL4797425 0.72 MLYCD (0.35) LSS
SCHEMBL5776317 0.72 ALDH1A1 (0.49) NPC1RAB9AKMT2A
SCHEMBL1652097 0.72 HDAC1 (0.44) KMT2A

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-1648896-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO [1,5-A] PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2006-04-26 EP disclosed
WO-2005014596-A1 7-SUBSTITUTED 3-NITRO-PYRAZOLO `1,5-A! PYRIMIDINES FERRER INTERNACIONAL, S.A. (ES) 2005-02-17 WO disclosed