SCHEMBL28894483

SCHEMBL28894483

CCOc1ccc(C(C)=O)c(N)c1C(C)=O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.51
CA9 Q16790 4/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NPC1 O15118 1/20 0.45
USP2 O75604 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HSD17B10 Q99714 1/20 0.45
TDP1 Q9NUW8 2/20 0.44
KDM4E B2RXH2 1/20 0.44
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL10874146 0.86 CA9 (0.53) CA9CYP3A4SMN1; SMN2HSD17B10LMNA
SCHEMBL28427985 0.81 ALDH1A1 (0.47) CA9CYP3A4USP2SMN1; SMN2HSD17B10
SCHEMBL6157992 0.80 CA9 (0.38) CREBBPCA9SMN1; SMN2KDM4ELMNA
SCHEMBL10911414 0.78 CYP3A4 (0.51) CREBBPCA9CYP3A4TSHRNPC1
Water SCHEMBL10494860 0.76 ABCB1 (0.39) TSHRUSP2SMN1; SMN2KDM4ELMNA
SCHEMBL10494877 0.76 ABCB1 (0.47) ALDH1A1HTT
SCHEMBL24074069 0.75 TSHR (0.61) CREBBPCA9CYP3A4TSHRNPC1
SCHEMBL27772170 0.75 CREBBP (0.45) CREBBPCA9CYP3A4TSHRNPC1
SCHEMBL5088087 0.74 CA9 (0.54) CREBBPCA9CYP3A4TSHRLMNA
SCHEMBL10498173 0.74 TSHR (0.55) CREBBPCA9CYP3A4TSHRNPC1

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
CN-111269135-A Production process of 2-amino-4-acetamidophenyl ether 中卫市鑫三元化工有限公司 2020-06-12 CN disclosed