SCHEMBL15468341

SCHEMBL15468341

Cc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1NCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
PDE5A O76074 4/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
TSHR P16473 1/20 0.51
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
CRHBP P24387 1/20 0.49
CYP2C19 P33261 1/20 0.49
CRHR2 Q13324 1/20 0.49
USP2 O75604 2/20 0.49
PKM P14618 1/20 0.48
LMNA P02545 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
APOBEC3A P31941 1/20 0.47
APOBEC3G Q9HC16 1/20 0.47

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
SCHEMBL1646176 0.87 POLB (0.51) POLBPDE5ASMN1; SMN2TSHRMAPT
SCHEMBL992901 0.84 PKM (0.66) POLBSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL17749304 0.81 ALOX15 (0.66) POLBPDE5ASMN1; SMN2TSHRKMT2A
SCHEMBL6055083 0.80 VCAM1 (0.69) SMN1; SMN2KMT2AMEN1CYP1A2CYP3A4
SCHEMBL1844612 0.73 MAPT (0.74) POLBSMN1; SMN2KMT2AMEN1CYP1A2
SCHEMBL1460166 0.72 L3MBTL1 (0.67) POLBSMN1; SMN2KMT2AMEN1USP2
SCHEMBL3936569 0.71 POLB (1.00) POLBSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL1156718 0.71 ABL1 (0.58) POLBSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL6034118 0.71 PKM (0.58) POLBSMN1; SMN2TSHRKMT2AMEN1
SCHEMBL307106 0.70 POLB (0.61) POLBSMN1; SMN2TSHRKMT2AMEN1

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-8648201-B2 Aminopyridine derivatives for treating tumors and inflammatory diseases MERCK PATENT GMBH (DE) 2014-02-11 US disclosed