SCHEMBL5313554

SCHEMBL5313554

CN1CCCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)c4ccc(-n5ccnc5)cc4)cc3)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ADH5 P11766 1/20 0.48
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 1/20 0.46
HTT P42858 2/20 0.46
APOBEC3A P31941 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46
MEN1 O00255 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 2/20 0.44
BAZ2B Q9UIF8 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
POLB P06746 1/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42

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
SCHEMBL5303227 0.96 ADH5 (0.52) LMNAADH5KMT2ASMN1; SMN2TSHR
SCHEMBL5311397 0.88 LMNA (0.44) LMNAKMT2ASMN1; SMN2TSHRHTT
SCHEMBL5308132 0.86 ADH5 (0.50) LMNAADH5KMT2ASMN1; SMN2HTT
SCHEMBL5307901 0.85 LMNA (0.49) LMNAKMT2ASMN1; SMN2TSHRHTT
SCHEMBL5307796 0.84 ADH5 (0.48) ADH5HTTCYP3A4BAZ2BCYP2C9
SCHEMBL5303396 0.83 ADH5 (0.52) ADH5KMT2ATSHRHTTMEN1
SCHEMBL5311521 0.83 LMNA (0.47) LMNAKMT2ASMN1; SMN2TSHRHTT
SCHEMBL5310156 0.83 NAMPT (0.50) ADH5SMN1; SMN2HTTCYP3A4BAZ2B
SCHEMBL5304167 0.83 NAMPT (0.49) ADH5HTTCYP3A4BAZ2BCYP2C9
SCHEMBL5303669 0.82 CYP1A2 (0.49) LMNAADH5KMT2ASMN1; SMN2TSHR

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
WO-2007039580-A1 IMIDAZOLYL-SUBSTITUTED BENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO claimed
WO-2007039580-A1 IMIDAZOLYL-SUBSTITUTED BENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed