SCHEMBL7049515

SCHEMBL7049515

CCC(=O)c1ccc(C)c(N)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.66
TDP1 Q9NUW8 2/20 0.66
ATM Q13315 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 4/20 0.43
CASP1 P29466 1/20 0.43
NPC1 O15118 1/20 0.42
USP2 O75604 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HPGD P15428 3/20 0.41
HTT P42858 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
THRB P10828 1/20 0.41
GFER P55789 1/20 0.41
PLEC Q15149 1/20 0.41
CREBBP Q92793 1/20 0.41
PPARA Q07869 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
SCHEMBL24403947 0.85 MAPT (0.61) MAPTTDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL13623664 0.85 ATM (0.46) MAPTTDP1ATMSMN1; SMN2L3MBTL1
SCHEMBL10740176 0.84 ATM (0.49) MAPTTDP1ATMSMN1; SMN2L3MBTL1
SCHEMBL7701905 0.82 ALDH1A1 (0.53) MAPTATMSMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL8960208 0.81 MAPT (0.61) MAPTTDP1ATMSMN1; SMN2L3MBTL1
SCHEMBL8399254 0.81 MAPT (0.61) MAPTTDP1L3MBTL1NPC1RAB9A
SCHEMBL11884043 0.81 ALDH1A1 (0.53) MAPTTDP1ATMSMN1; SMN2L3MBTL1
SCHEMBL11352711 0.80 MAPT (0.59) MAPTTDP1SMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL27939427 0.80 HSD17B3 (0.57) MAPTTDP1ATMALDH1A1HTT
SCHEMBL13783388 0.79 MAPT (0.76) MAPTTDP1SMN1; SMN2L3MBTL1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
WO-2015004481-A1 IMIDAZO-CONDENSED BICYCLES AS INHIBITORS OF DISCOIDIN DOMAIN RECEPTORS (DDRS) ASTEX THERAPEUTICS LIMITED (GB) 2015-01-15 WO disclosed
CN-102633783-A Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors TRANSTECH PHARMA INC 2012-08-15 CN disclosed
CN-101379060-B Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC 2012-05-23 CN disclosed
CN-101379060-A Benzoxazole-based derivatives as Aurora kinase inhibitors, compositions, and methods of use TRANSTECH PHARMA INC (US) 2009-03-04 CN disclosed
EP-0609885-B1 Acridinium compounds and conjugates thereof MOCHIDA PHARM CO LTD (JP) 2003-04-16 EP disclosed
US-5594112-A CHEMILUMINESCENCE LABEL MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1997-01-14 US disclosed
US-5438139-A Chemiluminescent; useful as immunolochemical, DNA probe and receptor bininding assays MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1995-08-01 US disclosed
EP-0609885-A1 Acridinium compounds and conjugates thereof MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1994-08-10 EP disclosed