SCHEMBL27698643

SCHEMBL27698643

O=C(C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCC(n4nnc5cc(C(F)(F)F)ccc54)CC3)cs2)CC1)C(Cc1ccc(F)cc1)N1CCC(c2nc(C(=O)N3CCC(n4nnc5cc(C(F)(F)F)ccc54)CC3)cs2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.51
ALDH1A1 P00352 5/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
HTT P42858 3/20 0.48
PKM P14618 1/20 0.48
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 5/20 0.42
MAPT P10636 3/20 0.40
TSHR P16473 1/20 0.40
GALK1 P51570 1/20 0.40
PIP4K2A P48426 1/20 0.40
GAA P10253 2/20 0.39
USP2 O75604 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL27698644 0.90 LMNA (0.50) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL27679665 0.81 LMNA (0.46) LMNAALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL5262607 0.80 ALDH1A1 (0.50) LMNAALDH1A1SMN1; SMN2HTTPKM
SCHEMBL2186441 0.76 L3MBTL1 (0.58) LMNAALDH1A1PKMMAPK1L3MBTL1
SCHEMBL27698652 0.75 PTGS1 (0.43) LMNAALDH1A1SMN1; SMN2HTTMAPK1
SCHEMBL27698639 0.75 KMT2A (0.46) LMNAALDH1A1SMN1; SMN2HTTMEN1
SCHEMBL27698603 0.74 HTR1F (0.39) MAPK1
SCHEMBL27698606 0.74 MEN1 (0.46) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL27861832 0.72 SMN1; SMN2 (0.37) LMNAALDH1A1SMN1; SMN2L3MBTL1MEN1
SCHEMBL27679669 0.71 KMT2A (0.43) LMNAALDH1A1SMN1; SMN2HTTMAPK1

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
CN-101031567-B Novel heterocyclic NF-kB inhibitors 4SC Corp.,Ltd. (DE) 2011-12-21 CN disclosed
CN-101031567-A Novel heterocyclic NF-kB inhibitors 4SC AG (DE) 2007-09-05 CN disclosed