SCHEMBL4068987

SCHEMBL4068987

Cc1ccc(-c2ccc(NC(=O)c3ccccc3F)cn2)c(C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 1/20 0.58
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
DHODH Q02127 3/20 0.53
RAB9A P51151 7/20 0.53
NPC1 O15118 6/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
TP53 P04637 1/20 0.53
GLA P06280 1/20 0.53
GAA P10253 1/20 0.53
HSD17B10 Q99714 1/20 0.53
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
PTPRC P08575 2/20 0.49
CTSL P07711 1/20 0.49
PTPN1 P18031 1/20 0.49
CTSS P25774 1/20 0.49

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
SCHEMBL4072365 0.90 KMT2A (0.51) MAPTDHODHRAB9ANPC1SMN1; SMN2
SCHEMBL4063742 0.86 DHODH (0.53) LMNADHODHRAB9ANPC1SMN1; SMN2
SCHEMBL12155531 0.82 NPC1 (0.60) P4HTMLMNAMAPTRAB9ANPC1
SCHEMBL4063151 0.81 P4HTM (0.43) P4HTMLMNAMAPTDHODHSMN1; SMN2
SCHEMBL4059192 0.80 NPC1 (0.60) P4HTMLMNAMAPTDHODHRAB9A
SCHEMBL4061473 0.78 DHODH (0.49) DHODHRAB9AHPGDABL1
SCHEMBL8230263 0.78 IL2 (0.50) LMNADHODHRAB9ANPC1MEN1
SCHEMBL13581604 0.76 MEN1 (0.83) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL439071 0.74 IL2 (0.50) LMNAMAPTDHODHRAB9ANPC1
SCHEMBL27972423 0.72 MEN1 (0.70) LMNAMAPTRAB9ANPC1SMN1; SMN2

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-1028945-B9 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2009-02-18 EP disclosed
EP-1028945-B1 SUBSTITUTED PYRIDINE COMPOUNDS AS ANTI-INFLAMMATORY AGENTS AMGEN INC (US) 2007-07-11 EP disclosed