SCHEMBL9139902

SCHEMBL9139902

CCOC(=O)c1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)CCC3CCCCC3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.49
CYP3A4 P08684 3/20 0.49
CYP2C9 P11712 3/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 2/20 0.49
CYP2C19 P33261 2/20 0.49
BLM P54132 2/20 0.49
HTR1A P08908 1/20 0.49
NFKB1 P19838 1/20 0.49
CNR1 P21554 1/20 0.49
ADRA1A P35348 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
P4HTM Q9NXG6 2/20 0.41
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 5/20 0.39
CYP1A2 P05177 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TP53 P04637 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
SCHEMBL9138872 0.94 CYP3A4 (0.46) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9139834 0.93 LMNA (0.49) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9139388 0.92 CYP3A4 (0.50) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9138876 0.91 LMNA (0.47) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9140390 0.89 LMNA (0.42) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9137483 0.88 P4HTM (0.52) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9018372 0.88 LMNA (0.44) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9141455 0.87 ALDH1A1 (0.49) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9140361 0.87 MAPT (0.53) LMNACYP3A4CYP2C9MAPTTSHR
SCHEMBL9140379 0.87 LMNA (0.42) LMNACYP3A4CYP2C9MAPTTSHR

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-5428046-A Antifibrotic agents HOECHST AKTIENGESELLSCHAFT (DE) 1995-06-27 US disclosed