SCHEMBL9683013

SCHEMBL9683013

CNC(=O)c1ccc(C(=O)N2CCCCC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.71
ALDH1A1 P00352 4/20 0.71
KMT2A Q03164 3/20 0.60
MEN1 O00255 2/20 0.60
TSHR P16473 1/20 0.60
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
MLYCD O95822 3/20 0.55
MAPK1 P28482 1/20 0.54
CA12 O43570 2/20 0.54
CA1 P00915 2/20 0.54
CA2 P00918 2/20 0.54
CA7 P43166 2/20 0.54
CA9 Q16790 2/20 0.54
CA14 Q9ULX7 2/20 0.54
USP2 O75604 1/20 0.53
MAPT P10636 1/20 0.53
KDM4E B2RXH2 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
LMNA P02545 1/20 0.53

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
SCHEMBL6471455 0.98 HPGD (0.68) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL27479149 0.84 HPGD (1.00) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL7132525 0.84 HPGD (1.00) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL19611154 0.84 HPGD (0.66) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL17560151 0.83 PHGDH (0.63) HPGDALDH1A1KMT2ATSHRHTT
SCHEMBL10721733 0.82 HPGD (0.95) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL23349085 0.82 HPGD (0.71) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL22106122 0.82 HPGD (0.71) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL14508007 0.81 HPGD (0.61) HPGDALDH1A1KMT2AMEN1TSHR
SCHEMBL939012 0.81 HPGD (0.53) HPGDALDH1A1KMT2AMEN1TSHR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5162152-A Monofilaments HOECHST CELANESE CORPORATION (US) 1992-11-10 US disclosed
EP-0499427-A2 Poly(2-methyl-1,5-pentylene) terephthalamide : a method of using; a method of spinning; and a process for making HOECHST CELANESE CORPORATION (US) 1992-08-19 EP disclosed
US-5112685-A Papermaking HOECHST CELANESE CORPORATION (US) 1992-05-12 US disclosed