SCHEMBL10693093

SCHEMBL10693093

CN(CCC(=N)N)C(=O)c1cc(N(C)C(=O)c2cc(NC(=O)N3CC3)c[nH]2)c[nH]1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.35
KIT P10721 1/20 0.32
NAMPT P43490 3/20 0.31
MEN1 O00255 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ESR2 Q92731 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
ABL1 P00519 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RIN1 Q13671 1/20 0.30
TDP1 Q9NUW8 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 SCHEMBL10693725 0.99 DAO (0.35) DAOKITNAMPTMEN1TP53
SCHEMBL10691117 0.85 FAAH (0.37) DAONAMPTMEN1TP53GAA
SCHEMBL10691565 0.85 FAAH (0.37) DAONAMPTMEN1TP53GAA
SCHEMBL10690621 0.85 DAO (0.35) DAONAMPTMEN1KMT2A
Hydrochloric Acid SCHEMBL10691969 0.84 FAAH (0.36) DAONAMPTMEN1TP53GAA
Hydrochloric Acid SCHEMBL10693585 0.84 FAAH (0.36) DAONAMPTMEN1TP53GAA
Hydrochloric Acid SCHEMBL10693182 0.84 DAO (0.35) DAONAMPT
SCHEMBL10693599 0.83 DAO (0.36) DAOESR2
SCHEMBL10692812 0.83 DAO (0.34) DAO
SCHEMBL9527804 0.83 DAO (0.35) 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