SCHEMBL13075262

SCHEMBL13075262

C=C(C)Nc1cccc(-n2cc(-c3ccc(F)cc3)ccc2=O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
GAA P10253 2/20 0.36
AHR P35869 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.35
MGLL Q99685 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
BTK Q06187 1/20 0.35
RIPK1 Q13546 1/20 0.34
JAK3 P52333 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
PAX8 Q06710 1/20 0.34
NOX4 Q9NPH5 1/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
FGFR1 P11362 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL13284320 0.90 GAA (0.37) KMT2AMEN1GAASMN1; SMN2RIPK1
SCHEMBL10059495 0.89 SMN1; SMN2 (0.46) CNR1GAAAHRSMN1; SMN2NOX4
SCHEMBL13580369 0.87 CYP17A1 (0.40) CNR1KMT2ASMN1; SMN2MKNK1MKNK2
SCHEMBL13075035 0.81 HSD17B10 (0.53) GAALMNANOX4
SCHEMBL13284149 0.81 ACSS2 (0.38) KMT2AMEN1LMNA
SCHEMBL10059853 0.80 NOX4 (0.44) KMT2AMEN1GAAAHRSMN1; SMN2
SCHEMBL10059415 0.79 RAB9A (0.49) KMT2AMEN1GAASMN1; SMN2MGLL
SCHEMBL10059512 0.79 GAA (0.49) GAAAHRSMN1; SMN2NOX4HTR1A
SCHEMBL13076864 0.78 PORCN (0.38) KMT2AMEN1LMNAKCNK3KCNK9
SCHEMBL13284321 0.78 BRD4 (0.45)

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
WO-2010135470-A1 PIFENIDONE DERIVATIVES FOR TREATING BRONCHIAL ASTHMA INTERMUNE, INC. (US) 2010-11-25 WO disclosed
WO-2010132864-A1 METHODS OF TREATING HIV PATIENTS WITH ANTI-FIBROTICS INTERMUNE, INC. (US) 2010-11-18 WO disclosed