SCHEMBL6717178

SCHEMBL6717178

O=C(Nc1ccc(C[N]Cc2ccc(C(F)(F)F)cc2)cc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.67
NPC1 O15118 5/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
MEN1 O00255 5/20 0.64
KMT2A Q03164 5/20 0.64
RXFP1 Q9HBX9 2/20 0.64
LMNA P02545 1/20 0.64
HIF1A Q16665 1/20 0.57
EPAS1 Q99814 1/20 0.57
MAOB P27338 2/20 0.56
NR1H4 Q96RI1 1/20 0.56
SLC6A5 Q9Y345 1/20 0.55
CASP3 P42574 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
SENP7 Q9BQF6 1/20 0.55
AR P10275 1/20 0.55
TRPV1 Q8NER1 1/20 0.54
MRGPRX4 Q96LA9 1/20 0.53

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
SCHEMBL1855897 0.84 L3MBTL1 (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1855896 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4316180 0.84 RAB9A (0.61) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL22192264 0.84 RAB9A (0.94) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8148879 0.82 NR1H4 (0.71) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL4964241 0.82 NPC1 (1.00) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL7296687 0.81 RAB9A (0.78) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL13393187 0.81 RAB9A (0.86) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL1856143 0.80 ALDH1A1 (0.55) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL11879987 0.80 RAB9A (0.84) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed