SCHEMBL8178590

SCHEMBL8178590

CN(C)S(=O)(=O)c1ccc2c(c1)NCC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.65
HTR2B P41595 3/20 0.65
SMN1; SMN2 Q16637 3/20 0.58
GFER P55789 1/20 0.58
CDK2 P24941 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
HTR7 P34969 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
LMNA P02545 3/20 0.40

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
SCHEMBL994897 0.87 HTR2C (0.65) HTR2CHTR2BSMN1; SMN2GFERCDK2
SCHEMBL1128542 0.81 GFER (0.63) HTR2CHTR2BSMN1; SMN2GFERHDAC3
SCHEMBL26812415 0.79 GFER (0.60) HTR2CHTR2BSMN1; SMN2GFERHDAC3
SCHEMBL4773205 0.79 HTR2C (1.00) HTR2CHTR2BPNMT
SCHEMBL1806454 0.78 GFER (0.59) HTR2CHTR2BSMN1; SMN2GFERHDAC3
SCHEMBL4230983 0.78 CA1 (0.61) SMN1; SMN2GFERHDAC3HDAC4HDAC1
SCHEMBL30664965 0.78 CA1 (0.61) SMN1; SMN2GFERHDAC3HDAC4HDAC1
SCHEMBL27947100 0.78 SMN1; SMN2 (0.63) HTR2CHTR2BSMN1; SMN2GFERHDAC3
SCHEMBL31591380 0.77 SMN1; SMN2 (0.71) HTR2CHTR2BSMN1; SMN2GFERCDK2
SCHEMBL1818147 0.77 SMN1; SMN2 (0.71) HTR2CHTR2BSMN1; SMN2GFERCDK2

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
WO-2000076966-A2 INDOLINYLAMIDE DERIVATIVES AND THE USE THEREOF AS ANTIVIRAL DRUGS BAYER AKTIENGESELLSCHAFT (DE) 2000-12-21 WO disclosed