SCHEMBL20115291

SCHEMBL20115291

C/C=C(\C)C(=O)Nc1ccc(NC)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
RAB9A P51151 5/20 0.42
TSHR P16473 3/20 0.42
NPC1 O15118 3/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
CYP3A4 P08684 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
CA12 O43570 1/20 0.41
BRD4 O60885 1/20 0.41
NR1I2 O75469 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL28716771 0.84 TDP1 (0.61) SMN1; SMN2HTTL3MBTL1RAB9ANPC1
SCHEMBL13464634 0.82 NPC1 (0.55) SMN1; SMN2HTTL3MBTL1RAB9ANPC1
SCHEMBL12789348 0.82 MEN1 (0.53) SMN1; SMN2HTTRAB9ANPC1NFKB1
SCHEMBL2322470 0.82 NAPRT (0.59) SMN1; SMN2HTTL3MBTL1RAB9ATSHR
SCHEMBL2358808 0.82 NAPRT (0.59) SMN1; SMN2HTTL3MBTL1RAB9ATSHR
SCHEMBL2322466 0.82 NAPRT (0.59) SMN1; SMN2HTTL3MBTL1RAB9ATSHR
SCHEMBL25144418 0.81 SMN1; SMN2 (0.70) SMN1; SMN2HTTL3MBTL1RAB9ATSHR
SCHEMBL19501826 0.79 NPC1 (0.65) SMN1; SMN2HTTRAB9ATSHRNPC1
SCHEMBL28219430 0.79 NPC1 (0.61) SMN1; SMN2HTTL3MBTL1RAB9ANPC1
SCHEMBL15178498 0.78 TIMP3 (0.46) HTTRAB9ATSHRALDH1A1MAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118887-A1 PRECURSOR COMPOSITION, PHOTOSENSITIVE RESIN COMPOSITION, METHOD FOR PRODUCING PRECURSOR COMPOSITION, CURED FILM, METHOD FOR PRODUCING CURED FILM, AND SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2018-05-03 US disclosed