SCHEMBL10690621

SCHEMBL10690621

CN(CCC(=N)N)C(=O)c1cc(N(C)C(=O)c2cc(NC(=O)C3CC3)c[nH]2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
RAB9A P51151 1/20 0.33
F2 P00734 2/20 0.32
PRSS1 P07477 2/20 0.32
PRSS2 P07478 2/20 0.32
PRSS3 P35030 2/20 0.32
ST14 Q9Y5Y6 2/20 0.32
PLG P00747 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HSD17B10 Q99714 1/20 0.31
NAMPT P43490 1/20 0.30
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30

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
Hydrochloric Acid SCHEMBL10693182 0.99 DAO (0.35) DAORAB9AF2PRSS1PRSS2
SCHEMBL10692812 0.89 DAO (0.34) DAO
SCHEMBL10688875 0.88 DAO (0.35) DAO
Hydrochloric Acid SCHEMBL10691112 0.87 DAO (0.34) DAO
SCHEMBL10693292 0.85 ALDH1A1 (0.37) DAORAB9AMTNR1AMTNR1BHSD17B10
SCHEMBL10694161 0.85 ALDH1A1 (0.37) DAORAB9AMTNR1AMTNR1BHSD17B10
SCHEMBL10692688 0.85 ALDH1A1 (0.37) DAORAB9AMTNR1AMTNR1BHSD17B10
SCHEMBL10693093 0.85 DAO (0.35) DAONAMPTMEN1KMT2A
Hydrochloric Acid SCHEMBL10689372 0.84 ALDH1A1 (0.37) DAORAB9AMTNR1AMTNR1BHSD17B10
Hydrochloric Acid SCHEMBL10693675 0.84 ALDH1A1 (0.37) DAORAB9AMTNR1AMTNR1BHSD17B10

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