SCHEMBL7833541

SCHEMBL7833541

CC(O)(C(=O)Nc1ccc2c(c1)C(=O)c1ccccc1-2)C(F)(F)F

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.68
CTSL P07711 1/20 0.68
PTPRC P08575 1/20 0.68
PTPN2 P17706 1/20 0.68
PTPN1 P18031 1/20 0.68
CTSS P25774 1/20 0.68
PTPN13 Q12923 1/20 0.68
ABCC9 O60706 10/20 0.64
ABCC8 Q09428 10/20 0.64
KCNJ11 Q14654 10/20 0.64
KCNJ8 Q15842 10/20 0.64
PDK1 Q15118 6/20 0.60
PDK2 Q15119 6/20 0.60
PDK3 Q15120 6/20 0.60
PDK4 Q16654 6/20 0.60
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
NPC1 O15118 2/20 0.58
ALDH1A1 P00352 2/20 0.58
MAPT P10636 2/20 0.58

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
SCHEMBL7832380 0.97 ABCC9 (0.67) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL22336181 0.87 PTPRC (0.74) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL22336214 0.87 PTPRC (0.74) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL7821425 0.87 ABCC9 (0.53) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL22321739 0.84 PTPRC (0.94) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL22336063 0.84 PTPRC (0.68) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL29538970 0.84 PTPRC (0.94) LCKCTSLPTPRCPTPN2PTPN1
SCHEMBL7833294 0.84 NPC1 (0.55) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL7829732 0.84 ABCC9 (0.58) ABCC9ABCC8KCNJ11KCNJ8PDK1
SCHEMBL22336186 0.83 PTPRC (0.76) LCKCTSLPTPRCPTPN2PTPN1

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
EP-0798288-B1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO KK (JP) 2001-05-16 EP disclosed
US-5726325-A FOR TREATING URINARY INCONTINENCE KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-10 US disclosed
EP-0798288-A1 TRICICLIC COMPOUNDS KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-10-01 EP disclosed