SCHEMBL1289338

SCHEMBL1289338

CC(O)(C(=O)Nc1ccccc1)C(C#N)(C(F)(F)F)S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 17/20 0.57
ABCC8 Q09428 17/20 0.57
KCNJ11 Q14654 17/20 0.57
KCNJ8 Q15842 17/20 0.57
MEN1 O00255 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
PDK1 Q15118 3/20 0.53
PDK2 Q15119 3/20 0.53
PDK3 Q15120 3/20 0.53
PDK4 Q16654 3/20 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
SCHEMBL8866328 0.73 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL28050469 0.72 PDK1 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL6359557 0.72 PDK1 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL7056575 0.71 PLK4 (0.48) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL2128828 0.71 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8489691 0.70 ABCC9 (0.74) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL28077906 0.70 ABCC9 (0.52) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8865688 0.68 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8866056 0.67 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8MEN1
SCHEMBL8487348 0.66 ABCC9 (0.80) ABCC9ABCC8KCNJ11KCNJ8MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2621526-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS Agensys, Inc. (US) 2013-08-07 EP disclosed
WO-2012047724-A1 ANTIBODY DRUG CONJUGATES (ADC) THAT BIND TO 191P4D12 PROTEINS AGENSYS, INC. (US) 2012-04-12 WO disclosed