SCHEMBL4047174

SCHEMBL4047174

CCC(CC)C(c1ccc(NC(=O)C2CCN(C(=O)O)C(C(C)(C)C)C2)cc1)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP17A1 P05093 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP26A1 O43174 5/20 0.36
KDM4E B2RXH2 2/20 0.35
TRPV1 Q8NER1 3/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX2 P34913 1/20 0.34

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
SCHEMBL4047171 0.80 PTPN2 (0.58) LMNAALDH1A1CYP17A1NPSR1MAPT
Hydrochloric Acid SCHEMBL4056640 0.77 NPSR1 (0.46) LMNAALDH1A1CYP17A1NPSR1POLB
SCHEMBL14837761 0.73 CYP17A1 (0.49) CYP17A1TSHRCYP26A1KDM4EMEN1
SCHEMBL13720325 0.69 KDM4E (0.54) ALDH1A1CYP17A1HPGDMAPTSMN1; SMN2
SCHEMBL5566007 0.68 CYP17A1 (0.43) CYP17A1CYP26A1KDM4E
SCHEMBL2265355 0.64 ALDH1A1 (0.36) LMNAALDH1A1SMN1; SMN2
SCHEMBL26673858 0.64 MAPT (0.47) LMNANPSR1POLBMAPT
SCHEMBL4990110 0.64 STS (0.62) ALDH1A1NPSR1POLBHPGDMAPT
SCHEMBL16456936 0.64 LMNA (0.33) LMNA
SCHEMBL14837689 0.64 CYP17A1 (0.48) CYP17A1

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-7579352-B2 Retinoic acid mimetic anilides JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-25 US disclosed