SCHEMBL7653410

SCHEMBL7653410

O=C(Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.67
KMT2A Q03164 7/20 0.66
SMN1; SMN2 Q16637 3/20 0.65
USP2 O75604 1/20 0.65
L3MBTL1 Q9Y468 1/20 0.64
MEN1 O00255 5/20 0.63
HTT P42858 2/20 0.63
HPGD P15428 1/20 0.63
LMNA P02545 1/20 0.63
MAPT P10636 1/20 0.63
ALOX12 P18054 1/20 0.63
HSD17B10 Q99714 1/20 0.60
GAA P10253 2/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
ATM Q13315 1/20 0.59

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
SCHEMBL7649651 0.88 ALDH1A1 (0.65) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL7651873 0.88 KMT2A (0.69) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL7655884 0.87 KMT2A (0.71) ALDH1A1KMT2AUSP2MEN1HTT
SCHEMBL16615846 0.86 ALDH1A1 (0.70) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL7651042 0.85 ALDH1A1 (0.66) ALDH1A1KMT2ASMN1; SMN2MEN1HTT
SCHEMBL12010889 0.84 ALDH1A1 (0.78) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL16919774 0.82 KMT2A (0.90) ALDH1A1KMT2AMEN1LMNAGAA
SCHEMBL6699009 0.80 POLB (0.69) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1
SCHEMBL12490995 0.79 L3MBTL1 (0.74) ALDH1A1KMT2ASMN1; SMN2L3MBTL1MEN1
SCHEMBL4075002 0.79 L3MBTL1 (1.00) ALDH1A1KMT2ASMN1; SMN2USP2L3MBTL1

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-6407120-B1 ADMINISTERING PYRIDINYLACETAMIDE OR PHENYLACETAMIDE DERIVATIVE TO TREAT CARDIOVASCULAR, EATING, SEXUAL, BRAIN, NERVOUS SYSTEM, GASTROINTESTINAL, UROGENITAL, PSYCHOLOGICAL, AND RESPIRATORY SYSTEM DISORDERS PFIZER INC. 2002-06-18 US disclosed