SCHEMBL5311397

SCHEMBL5311397

CN1CCCN(S(=O)(=O)c2ccc(-c3ccc(C(=O)c4ccc(-n5ccnc5)nc4)cc3)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
KMT2A Q03164 3/20 0.43
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
APOBEC3A P31941 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GPR55 Q9Y2T6 1/20 0.41
CYP2C9 P11712 4/20 0.41
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2D6 P10635 3/20 0.41
CYP2C19 P33261 3/20 0.41
CCNE2 O96020 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41

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
SCHEMBL5311521 0.96 LMNA (0.47) LMNAKMT2ATSHRSMN1; SMN2KDM4E
SCHEMBL20435476 0.89 ALDH1A1 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1MEN1
SCHEMBL5313554 0.88 LMNA (0.48) LMNAKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5305676 0.87 GAA (0.48) LMNAKMT2AKDM4EALDH1A1MEN1
SCHEMBL5307901 0.87 LMNA (0.49) LMNAKMT2ATSHRSMN1; SMN2ALDH1A1
SCHEMBL5311407 0.85 CYP3A4 (0.40) LMNAKMT2ASMN1; SMN2KDM4EALDH1A1
SCHEMBL5305470 0.85 CYP1A2 (0.41) KMT2AKDM4EALDH1A1MEN1L3MBTL1
SCHEMBL5310810 0.85 ALDH1A1 (0.46) KMT2AALDH1A1CYP2C9CYP1A2CYP3A4
SCHEMBL5306574 0.84 NAMPT (0.49) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5310101 0.84 CYP3A4 (0.40) LMNAKMT2ASMN1; SMN2KDM4EALDH1A1

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-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO claimed
WO-2007039578-A1 IMIDAZOLYL-SUBSTITUTED AZABENZOPHENONE COMPOUNDS NYCOMED GMBH (DE) 2007-04-12 WO disclosed