SCHEMBL9104517

SCHEMBL9104517

CCC(C=O)N(CCCn1ccnc1)C(=O)CC1C(=O)N(C(Cl)Cc2ccc(Cl)cc2)CC(=O)N1CCCN1CCOCC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
USP2 O75604 4/20 0.35
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MDM2 Q00987 5/20 0.32
TP53 P04637 3/20 0.32
RXFP1 Q9HBX9 1/20 0.32
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
ACHE P22303 1/20 0.31
MRGPRX1 Q96LB2 1/20 0.31
FPR1 P21462 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
SCHEMBL9099915 0.89 PSEN1 (0.34) ALDH1A1USP2LMNAMEN1KMT2A
SCHEMBL9105568 0.88 MDM2 (0.34) ALDH1A1USP2NPSR1LMNAHTT
SCHEMBL3713311 0.86 PSEN1 (0.35) ALDH1A1USP2NPSR1LMNAHTT
SCHEMBL9281625 0.86 MAPT (0.35) ALDH1A1MEN1KMT2ATP53PSEN1
SCHEMBL9104196 0.83 MDM2 (0.35) ALDH1A1USP2NPSR1LMNAHTT
SCHEMBL3693763 0.79 TBXAS1 (0.40) ALDH1A1USP2NPSR1LMNAHTT
SCHEMBL3710700 0.78 MDM2 (0.38) ALDH1A1USP2TSHRMDM2TP53
SCHEMBL3701509 0.77 KDM4E (0.40) ALDH1A1MEN1KMT2AMDM2RXFP1
SCHEMBL3695334 0.77 MDM2 (0.35) ALDH1A1USP2NPSR1LMNAHTT
SCHEMBL9107408 0.75 LMNA (0.32) ALDH1A1LMNAMEN1KMT2ATP53

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-2460798-A2 APAF-1 INHIBITOR COMPOUNDS Laboratorios SALVAT, S.A. (ES) 2012-06-06 EP disclosed