SCHEMBL10697040

SCHEMBL10697040

O=C(O)OC1CCCN(CCOc2ccc(Cl)c(Cl)c2)C1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.67
POLB P06746 2/20 0.67
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
HRH3 Q9Y5N1 6/20 0.49
LMNA P02545 1/20 0.49
HCRTR1 O43613 1/20 0.47
BLM P54132 1/20 0.47

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
SCHEMBL9837079 0.82 KDM4E (0.44) KDM4EPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL9836372 0.79 SLC6A4 (0.50)
SCHEMBL10695808 0.75 KDM4E (0.48) KDM4EPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL10692369 0.74 KMT2A (0.53) KDM4EALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL21408361 0.73 KDM4E (0.72) KDM4EPOLBALDH1A1SMN1; SMN2GAA
SCHEMBL9836380 0.73 CYP3A4 (0.57) POLBHRH3
Oxalic Acid SCHEMBL9697739 0.73 KDM4E (0.63) KDM4EPOLBALDH1A1SMN1; SMN2MEN1
SCHEMBL10696993 0.73 KDM4E (0.54) KDM4EALDH1A1GAATDP1HRH3
SCHEMBL8908809 0.72 HRH3 (0.50) SMN1; SMN2MEN1KMT2AHRH3
SCHEMBL10695019 0.72 KDM4E (0.53) KDM4EALDH1A1GAATDP1HRH3

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
EP-0260833-A2 Process for producing polyamide acid having siloxane bonds and polyimide having siloxane bonds and isoindoloquinazolinedione rings HITACHI CHEMICAL COMPANY (JP) 1988-03-23 EP disclosed