SCHEMBL10693697

SCHEMBL10693697

CN(C)CCCN(C)C(=O)c1cc(N(C)C(=O)c2cc(N(C)C(=O)c3cc(NC(=O)N(CCCl)N=O)c[nH]3)c[nH]2)c[nH]1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.34
EGFR P00533 3/20 0.33
ERBB2 P04626 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
ABCB11 O95342 1/20 0.32
GSR P00390 1/20 0.32
TSHR P16473 1/20 0.32
HTT P42858 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32

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
SCHEMBL10695100 1.00 DAO (0.34) DAOEGFRERBB2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10694105 0.99 DAO (0.34) DAOEGFRERBB2ALDH1A1MEN1
Hydrochloric Acid SCHEMBL10687743 0.99 DAO (0.34) DAOEGFRERBB2ALDH1A1MEN1
SCHEMBL10691131 0.88 DAO (0.39) DAOMEN1KMT2A
SCHEMBL10694015 0.88 DAO (0.39) DAOMEN1KMT2A
SCHEMBL10690986 0.88 DAO (0.39) DAOMEN1KMT2A
Hydrochloric Acid SCHEMBL10690291 0.87 DAO (0.38) DAOMEN1KMT2A
Hydrochloric Acid SCHEMBL10687908 0.87 DAO (0.38) DAOMEN1KMT2A
Hydrochloric Acid SCHEMBL10688893 0.87 DAO (0.38) DAOMEN1KMT2A
SCHEMBL10695524 0.86 DAO (0.33) DAOEGFRERBB2ALDH1A1MEN1

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