SCHEMBL10691661

SCHEMBL10691661

CN(C)CCCN(C)C(=O)c1cc(N(C)C(=O)c2cc(NC(=O)CCCl)c[nH]2)c[nH]1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
TERT O14746 6/20 0.34
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
LTA4H P09960 1/20 0.33
HPGDS O60760 1/20 0.32
SIRT1 Q96EB6 5/20 0.32
SIRT2 Q8IXJ6 4/20 0.32
MAPK8 P45983 1/20 0.31
MAPK10 P53779 1/20 0.31
MAPK14 Q16539 1/20 0.31
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
CASP3 P42574 1/20 0.31
CASP2 P42575 1/20 0.31
CASP7 P55210 1/20 0.31
CASP6 P55212 1/20 0.31
CASP8 Q14790 1/20 0.31
TOP2A P11388 1/20 0.31

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
SCHEMBL10691990 1.00 DAO (0.37) DAOTERTHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10691204 0.99 DAO (0.36) DAOTERTHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10692472 0.99 DAO (0.36) DAOTERTHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10691128 0.99 DAO (0.36) DAOTERTHDAC1HDAC2HDAC6
SCHEMBL10693599 0.86 DAO (0.36) DAOHDAC1HDAC2HDAC6
Hydrochloric Acid SCHEMBL10693303 0.85 DAO (0.35) DAO
SCHEMBL9527335 0.84 DAO (0.37) DAO
SCHEMBL10695100 0.84 DAO (0.34) DAO
SCHEMBL10693697 0.84 DAO (0.34) DAO
Hydrochloric Acid SCHEMBL10687743 0.83 DAO (0.34) DAO

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-4766142-A ANTICARCINOGENIC AGENTS FARMITALIA CARLO ERBA S.R.L. (IT) 1988-08-23 US disclosed