SCHEMBL7657605

SCHEMBL7657605

O=C(Nc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1)C(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.51
KMT2A Q03164 10/20 0.49
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 2/20 0.49
USP2 O75604 2/20 0.49
ESR1 P03372 1/20 0.49
NR4A1 P22736 1/20 0.49
PTK2B Q14289 1/20 0.49
MEN1 O00255 8/20 0.49
S1PR3 Q99500 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 1/20 0.48
ALDH1A1 P00352 3/20 0.47
GPR55 Q9Y2T6 1/20 0.47
HTR1E P28566 2/20 0.46
TSHR P16473 2/20 0.46
TP53 P04637 1/20 0.46
ALOX15 P16050 1/20 0.46
SCN1A P35498 1/20 0.46

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
SCHEMBL7652829 0.80 LMNA (0.64) POLBKMT2AMAPTNPSR1USP2
SCHEMBL1593422 0.78 MEN1 (0.74) POLBKMT2AMAPTMEN1S1PR3
SCHEMBL7655884 0.78 KMT2A (0.71) KMT2AMAPTNPSR1USP2ESR1
SCHEMBL7652121 0.77 POLB (0.60) POLBKMT2AMAPTNPSR1USP2
SCHEMBL7649651 0.76 ALDH1A1 (0.65) POLBKMT2AMAPTNPSR1USP2
SCHEMBL7651873 0.76 KMT2A (0.69) POLBKMT2AMAPTNPSR1USP2
SCHEMBL8349997 0.76 ALDH1A1 (0.69) POLBKMT2ANPSR1USP2ESR1
SCHEMBL1593502 0.75 ALDH1A1 (0.76) POLBKMT2AMAPTMEN1S1PR3
SCHEMBL6699009 0.75 POLB (0.69) POLBKMT2AMAPTNPSR1USP2
SCHEMBL7651771 0.72 ALDH1A1 (0.61) POLBKMT2AMAPTNPSR1MEN1

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