SCHEMBL9011067

SCHEMBL9011067

O=C(O)Cc1cccc(N2CCN(C(=O)c3cccnc3)CC2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.65
KHK P50053 1/20 0.56
KDM4E B2RXH2 3/20 0.55
HTT P42858 1/20 0.55
PKM P14618 1/20 0.55
ITGB3 P05106 2/20 0.54
ITGA2B P08514 2/20 0.54
MAPT P10636 3/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
ALOX15 P16050 1/20 0.53
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
CHRM2 P08172 1/20 0.51
TDP1 Q9NUW8 1/20 0.50
NAMPT P43490 1/20 0.49

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
SCHEMBL21987023 0.83 MAPT (0.69) ALDH1A1KHKKDM4EHTTPKM
SCHEMBL7813405 0.82 ALDH1A1 (0.72) ALDH1A1KHKKDM4EHTTPKM
SCHEMBL9639987 0.82 PKM (0.81) ALDH1A1KDM4EHTTPKMMAPT
SCHEMBL9011061 0.80 CCR5 (0.54) ALDH1A1KDM4EHTTPKMALOX15
SCHEMBL9011197 0.79 ALDH1A1 (0.65) ALDH1A1KDM4EHTTPKMMEN1
SCHEMBL9011154 0.78 LMNA (0.73) ALDH1A1HTTITGB3ITGA2BMAPT
SCHEMBL9639996 0.78 KMT2A (0.69) ALDH1A1KDM4EHTTPKMMEN1
Hydrochloric Acid SCHEMBL10576374 0.77 POLB (0.68) ALDH1A1KDM4EHTTPKMMEN1
SCHEMBL9763711 0.77 PKM (0.74) ALDH1A1KDM4EPKMMAPTMEN1
SCHEMBL23256404 0.76 ITGB3 (0.61) ALDH1A1KDM4EITGB3ITGA2BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1035178-C Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1997-06-18 CN disclosed
US-5532371-A SIDE EFFECT REDUCTION SS PHARMACEUTICAL CO., LTD. (JP) 1996-07-02 US disclosed
US-5411972-A Arylamide derivatives for treating hyperlipemia SS PHARMACEUTICAL CO., LTD. (JP) 1995-05-02 US disclosed
CN-1094039-A Arylamide derivatives SS PHARMACEUTICAL CO (JP) 1994-10-26 CN disclosed
EP-0607536-A1 Arylamide derivatives SS PHARMACEUTICAL CO., LTD. (JP) 1994-07-27 EP disclosed