SCHEMBL7637993

SCHEMBL7637993

COC(=O)CN(CCN(c1ccc(OC)cc1)C(c1ccccc1)c1ccccc1)C(=O)CCl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
ALDH1A1 P00352 4/20 0.48
LMNA P02545 3/20 0.48
NPSR1 Q6W5P4 3/20 0.48
HTT P42858 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 2/20 0.48
MAPT P10636 2/20 0.48
HPGD P15428 2/20 0.48
RAB9A P51151 2/20 0.48
TP53 P04637 1/20 0.48
RNF4 P78317 1/20 0.44
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PLIN1 O60240 1/20 0.41
GSTO1 P78417 1/20 0.41
PLIN5 Q00G26 1/20 0.41
ABHD5 Q8WTS1 1/20 0.41
CNR1 P21554 1/20 0.38

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
SCHEMBL7637174 0.81 CYP3A4 (0.47) ALDH1A1GAA
SCHEMBL7641484 0.81 CYP19A1 (0.37) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL7641427 0.81 IDH1 (0.44) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL7637990 0.77 RNF4 (0.44) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL7637994 0.74 RNF4 (0.41) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL2492138 0.74 SLC6A2 (0.45) MEN1KMT2AALDH1A1LMNAMTNR1A
SCHEMBL7645535 0.73 CYP3A4 (0.48) ALDH1A1NPSR1GAA
SCHEMBL9225377 0.73 IDH1 (0.45) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL7644923 0.73 CYP19A1 (0.38) MEN1KMT2AALDH1A1LMNANPSR1
SCHEMBL3927370 0.71 CA12 (0.41) MEN1KMT2AHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6465650-B1 INTERMEDIATE STEPS IN PREPARING PEPTIDE NUCLEIC ACIDS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-10-15 US disclosed
US-6075143-A USEFUL FOR FORMING PEPTIDE NUCLEIC ACIDS OR HYBRID OF PEPTIDE NUCLEIC ACIDS AND DEOXYNUCLEIC ACID HOECHST AKTIENGESELLSCHAFT (DE) 2000-06-13 US disclosed