SCHEMBL9510016

SCHEMBL9510016

CC(=O)OOc1ccc(N)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 7/20 0.44
MAPK1 P28482 2/20 0.44
PARP10 Q53GL7 1/20 0.44
CYP19A1 P11511 1/20 0.43
ALDH1A1 P00352 5/20 0.43
CYP3A4 P08684 4/20 0.43
TSHR P16473 4/20 0.42
TEAD4 Q15561 1/20 0.40
MAPT P10636 4/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 3/20 0.38
RAB9A P51151 3/20 0.38
CYP1A2 P05177 2/20 0.38
MAOA P21397 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PDE4D Q08499 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
DHFR P00374 1/20 0.37

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
SCHEMBL7098470 0.80 ELANE (0.40) TDP1MAPK1PARP10CYP19A1ALDH1A1
SCHEMBL6200881 0.80 MEN1 (0.44) PARP10ALDH1A1CYP3A4TSHRMAPT
SCHEMBL8586307 0.80 CES2 (0.52) MAPK1PARP10MAPTLMNANPC1
SCHEMBL10438873 0.80 LMNA (0.61) TDP1ALDH1A1CYP3A4TSHRMAPT
SCHEMBL28617865 0.79 RAB9A (0.46) MAPK1ALDH1A1MAPTPOLBNPC1
SCHEMBL6032843 0.79 LOXL2 (0.48) SMN1; SMN2KDM4E
SCHEMBL3925367 0.79 MAPT (0.40) TDP1MAPK1PARP10CYP19A1ALDH1A1
SCHEMBL156135 0.78 HPGD (0.47) CYP3A4TSHRMAPTLMNACYP1A2
SCHEMBL21612930 0.78 MEN1 (0.47) MAPK1ALDH1A1TSHRMAPTLMNA
SCHEMBL3725791 0.78 MAOB (0.43) ALDH1A1LMNAMAOASMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0316809-B1 Salts of amino-(poly)percarboxylic acids AUSIMONT SPA (IT) 1993-11-03 EP claimed
EP-0316809-A2 Salts of amino-(poly)percarboxylic acids AUSIMONT S.p.A. (IT) 1989-05-24 EP claimed
EP-0316809-B1 Salts of amino-(poly)percarboxylic acids AUSIMONT SPA (IT) 1993-11-03 EP disclosed
EP-0316809-A2 Salts of amino-(poly)percarboxylic acids AUSIMONT S.p.A. (IT) 1989-05-24 EP disclosed